diff --git a/.badgery.yaml b/.badgery.yaml
index f22752fa..99bcdc1c 100644
--- a/.badgery.yaml
+++ b/.badgery.yaml
@@ -5,19 +5,18 @@ cards:
   - group: Tests
     type: gh_action
     title: Code/package tests (GitHub)
-    file: test.yaml
+    file: test.yml
     enabled: true
-
   - group: Tests
     type: gh_action
     title: Tutorial tests (GitHub)
-    file: tutorial-tests.yaml
+    file: tutorial-tests.yml
     enabled: true
 
   - group: Tests
     type: gh_action
     title: Package tests (PyPI)
-    file: pypi-test.yaml
+    file: pypi-test.yml
     enabled: true
 
   - group: Code Quality
@@ -60,15 +59,14 @@ cards:
     title: Docstring coverage (interrogate)
     report: reports/{branch}/coverage-docstring.txt
     enabled: true
-
   - group: Build & Release
     type: gh_action
     title: Publishing (PyPI)
-    workflow: pypi-publish.yaml
+    workflow: pypi-publish.yml
     enabled: true
 
   - group: Build & Release
     type: gh_action
     title: Docs build/deployment
-    workflow: docs.yaml
+    workflow: docs.yml
     enabled: true
diff --git a/.copier-answers.yml b/.copier-answers.yml
new file mode 100644
index 00000000..778744fa
--- /dev/null
+++ b/.copier-answers.yml
@@ -0,0 +1,27 @@
+# WARNING: Do not edit this file manually.
+# Any changes will be overwritten by Copier.
+_commit: v0.10.1-25-ga5301e9
+_src_path: gh:easyscience/templates
+app_docs_url: https://easyscience.github.io/diffraction-app
+app_doi: 10.5281/zenodo.18163581
+app_package_name: easydiffraction_app
+app_python: '3.13'
+app_repo_name: diffraction-app
+home_page_url: https://easyscience.github.io/diffraction
+home_repo_name: diffraction
+lib_docs_url: https://easyscience.github.io/diffraction-lib
+lib_doi: 10.5281/zenodo.18163581
+lib_package_name: easydiffraction
+lib_python_max: '3.13'
+lib_python_min: '3.11'
+lib_repo_name: diffraction-lib
+project_contact_email: support@easydiffraction.org
+project_copyright_years: 2021-2026
+project_extended_description: A software for calculating neutron powder diffraction
+    patterns based on a structural model and refining its parameters against experimental
+    data
+project_name: EasyDiffraction
+project_short_description: Diffraction data analysis
+project_shortcut: ED
+project_type: both
+template_type: lib
diff --git a/.github/actions/download-artifact/action.yml b/.github/actions/download-artifact/action.yml
new file mode 100644
index 00000000..e4fd62f5
--- /dev/null
+++ b/.github/actions/download-artifact/action.yml
@@ -0,0 +1,50 @@
+name: 'Download artifact'
+description: 'Generic wrapper for actions/download-artifact'
+inputs:
+  name:
+    description: 'Name of the artifact to download'
+    required: true
+
+  path:
+    description: 'Destination path'
+    required: false
+    default: '.'
+
+  pattern:
+    description: 'Glob pattern to match artifact names (optional)'
+    required: false
+    default: ''
+
+  merge-multiple:
+    description: 'Merge multiple artifacts into the same directory'
+    required: false
+    default: 'false'
+
+  github-token:
+    description: 'GitHub token for cross-repo download (optional)'
+    required: false
+    default: ''
+
+  repository:
+    description: 'owner/repo for cross-repo download (optional)'
+    required: false
+    default: ''
+
+  run-id:
+    description: 'Workflow run ID for cross-run download (optional)'
+    required: false
+    default: ''
+
+runs:
+  using: 'composite'
+  steps:
+    - name: Download artifact
+      uses: actions/download-artifact@v4
+      with:
+        name: ${{ inputs.name }}
+        path: ${{ inputs.path }}
+        pattern: ${{ inputs.pattern }}
+        merge-multiple: ${{ inputs.merge-multiple }}
+        github-token: ${{ inputs.github-token }}
+        repository: ${{ inputs.repository }}
+        run-id: ${{ inputs.run-id }}
diff --git a/.github/actions/github-script/action.yml b/.github/actions/github-script/action.yml
new file mode 100644
index 00000000..ab32da56
--- /dev/null
+++ b/.github/actions/github-script/action.yml
@@ -0,0 +1,19 @@
+name: 'GitHub Script'
+description: 'Wrapper for actions/github-script'
+inputs:
+  script:
+    description: 'JavaScript to run'
+    required: true
+
+  github-token:
+    description: 'GitHub token (defaults to github.token)'
+    required: false
+    default: ${{ github.token }}
+
+runs:
+  using: 'composite'
+  steps:
+    - uses: actions/github-script@v8
+      with:
+        script: ${{ inputs.script }}
+        github-token: ${{ inputs.github-token }}
diff --git a/.github/actions/setup-easyscience-bot/action.yml b/.github/actions/setup-easyscience-bot/action.yml
new file mode 100644
index 00000000..4b28eaf8
--- /dev/null
+++ b/.github/actions/setup-easyscience-bot/action.yml
@@ -0,0 +1,40 @@
+name: 'Setup EasyScience bot for pushing'
+description: 'Create GitHub App token and configure git identity + origin remote'
+inputs:
+  app-id:
+    description: 'GitHub App ID'
+    required: true
+  private-key:
+    description: 'GitHub App private key (PEM)'
+    required: true
+  repositories:
+    description: 'Additional repositories to grant access to (newline-separated)'
+    required: false
+    default: ''
+
+outputs:
+  token:
+    description: 'Installation access token'
+    value: ${{ steps.app-token.outputs.token }}
+
+runs:
+  using: 'composite'
+  steps:
+    - name: Create GitHub App installation token
+      id: app-token
+      uses: actions/create-github-app-token@v2
+      with:
+        app-id: ${{ inputs.app-id }}
+        private-key: ${{ inputs.private-key }}
+        repositories: ${{ inputs.repositories }}
+
+    - name: Configure git for pushing
+      shell: bash
+      run: |
+        git config user.name "easyscience[bot]"
+        git config user.email "${{ inputs.app-id }}+easyscience[bot]@users.noreply.github.com"
+
+    - name: Configure origin remote to use the bot token
+      shell: bash
+      run: |
+        git remote set-url origin https://x-access-token:${{ steps.app-token.outputs.token }}@github.com/${{ github.repository }}.git
diff --git a/.github/actions/setup-pixi/action.yml b/.github/actions/setup-pixi/action.yml
new file mode 100644
index 00000000..167ee623
--- /dev/null
+++ b/.github/actions/setup-pixi/action.yml
@@ -0,0 +1,44 @@
+name: 'Setup Pixi Environment'
+description: 'Sets up pixi with common configuration'
+inputs:
+  environments:
+    description: 'Pixi environments to setup'
+    required: false
+    default: 'default'
+  activate-environment:
+    description: 'Environment to activate'
+    required: false
+    default: 'default'
+  run-install:
+    description: 'Whether to run pixi install'
+    required: false
+    default: 'true'
+  locked:
+    description: 'Whether to run pixi install --locked'
+    required: false
+    default: 'false'
+  frozen:
+    description: 'Whether to run pixi install --frozen'
+    required: false
+    default: 'true'
+  cache:
+    description: 'Whether to use cache'
+    required: false
+    default: 'false'
+  post-cleanup:
+    description: 'Whether to run post cleanup'
+    required: false
+    default: 'false'
+
+runs:
+  using: 'composite'
+  steps:
+    - uses: prefix-dev/setup-pixi@v0.9.4
+      with:
+        environments: ${{ inputs.environments }}
+        activate-environment: ${{ inputs.activate-environment }}
+        run-install: ${{ inputs.run-install }}
+        locked: ${{ inputs.locked }}
+        frozen: ${{ inputs.frozen }}
+        cache: ${{ inputs.cache }}
+        post-cleanup: ${{ inputs.post-cleanup }}
diff --git a/.github/actions/upload-artifact/action.yml b/.github/actions/upload-artifact/action.yml
new file mode 100644
index 00000000..825ac396
--- /dev/null
+++ b/.github/actions/upload-artifact/action.yml
@@ -0,0 +1,49 @@
+name: 'Upload artifact'
+description: 'Generic wrapper for actions/upload-artifact'
+inputs:
+  name:
+    description: 'Artifact name'
+    required: true
+
+  path:
+    description: 'File(s)/dir(s)/glob(s) to upload (newline-separated)'
+    required: true
+
+  include-hidden-files:
+    description: 'Include hidden files'
+    required: false
+    default: 'true'
+
+  if-no-files-found:
+    description: 'warn | error | ignore'
+    required: false
+    default: 'error'
+
+  compression-level:
+    description: '0-9 (0 = no compression)'
+    required: false
+    default: '0'
+
+  retention-days:
+    description: 'Retention in days (optional)'
+    required: false
+    default: ''
+
+  overwrite:
+    description: 'Overwrite an existing artifact with the same name'
+    required: false
+    default: 'false'
+
+runs:
+  using: 'composite'
+  steps:
+    - name: Upload artifact
+      uses: actions/upload-artifact@v4
+      with:
+        name: ${{ inputs.name }}
+        path: ${{ inputs.path }}
+        include-hidden-files: ${{ inputs.include-hidden-files }}
+        if-no-files-found: ${{ inputs.if-no-files-found }}
+        compression-level: ${{ inputs.compression-level }}
+        retention-days: ${{ inputs.retention-days }}
+        overwrite: ${{ inputs.overwrite }}
diff --git a/.github/actions/upload-codecov/action.yml b/.github/actions/upload-codecov/action.yml
new file mode 100644
index 00000000..37d6298a
--- /dev/null
+++ b/.github/actions/upload-codecov/action.yml
@@ -0,0 +1,42 @@
+name: 'Upload coverage to Codecov'
+description: 'Generic wrapper for codecov/codecov-action@v5'
+
+inputs:
+  name:
+    description: 'Codecov upload name'
+    required: true
+
+  flags:
+    description: 'Codecov flags'
+    required: false
+    default: ''
+
+  files:
+    description: 'Coverage report files'
+    required: true
+
+  fail_ci_if_error:
+    description: 'Fail CI if upload fails'
+    required: false
+    default: 'true'
+
+  verbose:
+    description: 'Enable verbose output'
+    required: false
+    default: 'true'
+
+  token:
+    description: 'Codecov token'
+    required: true
+
+runs:
+  using: composite
+  steps:
+    - uses: codecov/codecov-action@v5
+      with:
+        name: ${{ inputs.name }}
+        flags: ${{ inputs.flags }}
+        files: ${{ inputs.files }}
+        fail_ci_if_error: ${{ inputs.fail_ci_if_error }}
+        verbose: ${{ inputs.verbose }}
+        token: ${{ inputs.token }}
diff --git a/.github/configs/pages-deployment.json b/.github/configs/pages-deployment.json
new file mode 100644
index 00000000..c0d3fbee
--- /dev/null
+++ b/.github/configs/pages-deployment.json
@@ -0,0 +1,6 @@
+{
+  "source": {
+    "branch": "gh-pages",
+    "path": "/"
+  }
+}
diff --git a/.github/configs/rulesets-develop.json b/.github/configs/rulesets-develop.json
new file mode 100644
index 00000000..04489e52
--- /dev/null
+++ b/.github/configs/rulesets-develop.json
@@ -0,0 +1,37 @@
+{
+  "name": "develop branch",
+  "target": "branch",
+  "enforcement": "active",
+  "conditions": {
+    "ref_name": {
+      "include": ["refs/heads/develop"],
+      "exclude": []
+    }
+  },
+  "bypass_actors": [
+    {
+      "actor_id": 2476259,
+      "actor_type": "Integration",
+      "bypass_mode": "always"
+    }
+  ],
+  "rules": [
+    {
+      "type": "non_fast_forward"
+    },
+    {
+      "type": "deletion"
+    },
+    {
+      "type": "pull_request",
+      "parameters": {
+        "allowed_merge_methods": ["squash"],
+        "dismiss_stale_reviews_on_push": false,
+        "require_code_owner_review": false,
+        "require_last_push_approval": false,
+        "required_approving_review_count": 0,
+        "required_review_thread_resolution": false
+      }
+    }
+  ]
+}
diff --git a/.github/configs/rulesets-gh-pages.json b/.github/configs/rulesets-gh-pages.json
new file mode 100644
index 00000000..ebf38928
--- /dev/null
+++ b/.github/configs/rulesets-gh-pages.json
@@ -0,0 +1,19 @@
+{
+  "name": "gh-pages branch",
+  "target": "branch",
+  "enforcement": "active",
+  "conditions": {
+    "ref_name": {
+      "include": ["refs/heads/gh-pages"],
+      "exclude": []
+    }
+  },
+  "rules": [
+    {
+      "type": "non_fast_forward"
+    },
+    {
+      "type": "deletion"
+    }
+  ]
+}
diff --git a/.github/configs/rulesets-master.json b/.github/configs/rulesets-master.json
new file mode 100644
index 00000000..f658a5c6
--- /dev/null
+++ b/.github/configs/rulesets-master.json
@@ -0,0 +1,30 @@
+{
+  "name": "master branch",
+  "target": "branch",
+  "enforcement": "active",
+  "conditions": {
+    "ref_name": {
+      "include": ["~DEFAULT_BRANCH"],
+      "exclude": []
+    }
+  },
+  "rules": [
+    {
+      "type": "non_fast_forward"
+    },
+    {
+      "type": "deletion"
+    },
+    {
+      "type": "pull_request",
+      "parameters": {
+        "allowed_merge_methods": ["merge"],
+        "dismiss_stale_reviews_on_push": false,
+        "require_code_owner_review": false,
+        "require_last_push_approval": false,
+        "required_approving_review_count": 0,
+        "required_review_thread_resolution": false
+      }
+    }
+  ]
+}
diff --git a/.github/copilot-instructions.md b/.github/copilot-instructions.md
new file mode 100644
index 00000000..6c342493
--- /dev/null
+++ b/.github/copilot-instructions.md
@@ -0,0 +1,159 @@
+# Copilot Instructions for EasyDiffraction
+
+## Project Context
+
+- Python library for crystallographic diffraction analysis, such as
+  refinement of the structural model against experimental data.
+- Support for
+  - sample_form: powder and single crystal
+  - beam_mode: time-of-flight and constant wavelength
+  - radiation_probe: neutron and x-ray
+  - scattering_type: bragg and total scattering
+- Calculations are done using external calculation libraries:
+  - `cryspy` for Bragg diffraction
+  - `crysfml` for Bragg diffraction
+  - `pdffit2` for Total scattering
+- Follow CIF naming conventions where possible. In some places, we
+  deviate for better API design, but we try to keep the spirit of the
+  CIF names.
+- Reusing the concept of datablocks and categories from CIF. We have
+  `DatablockItem` (structure or experiment) and `DatablockCollection`
+  (collection of structures or experiments), as well as `CategoryItem`
+  (single categories in CIF) and `CategoryCollection` (loop categories
+  in CIF).
+- Metadata via frozen dataclasses: `TypeInfo`, `Compatibility`,
+  `CalculatorSupport`.
+- The API is designed for scientists who use EasyDiffraction as a final
+  product in a user-friendly, intuitive way. The target users are not
+  software developers and may have little or no Python experience. The
+  design is not oriented toward developers building their own tooling on
+  top of the library, although experienced developers will find their
+  own way. Prioritize discoverability, clear error messages, and safe
+  defaults so that non-programmers are not stuck by standard API
+  conventions.
+- This project must be developed to be as error-free as possible, with
+  the same rigour applied to critical software (e.g. nuclear-plant
+  control systems). Every code path must be tested, edge cases must be
+  handled explicitly, and silent failures are not acceptable.
+
+## Code Style
+
+- Use snake_case for functions and variables, PascalCase for classes,
+  and UPPER_SNAKE_CASE for constants.
+- Use `from __future__ import annotations` in every module.
+- Type-annotate all public function signatures.
+- Docstrings on all public classes and methods (numpy style).
+- Prefer flat over nested, explicit over clever.
+- Write straightforward code; do not add defensive checks for unlikely
+  edge cases.
+- Prefer composition over deep inheritance.
+- One class per file when the class is substantial; group small related
+  classes.
+- Avoid `**kwargs`; use explicit keyword arguments for clarity,
+  autocomplete, and typo detection.
+- Do not use string-based dispatch (e.g. `getattr(self, f'_{name}')`) to
+  route to attributes or methods. Instead, write explicit named methods
+  (e.g. `_set_sample_form`, `_set_beam_mode`). This keeps the code
+  greppable, autocomplete-friendly, and type-safe.
+- Public parameters and descriptors are either **editable** (property
+  with both getter and setter) or **read-only** (property with getter
+  only). If internal code needs to mutate a read-only property, add a
+  private `_set_<name>` method instead of exposing a public setter.
+
+## Architecture
+
+- Eager imports at the top of the module by default. Use lazy imports
+  (inside a method body) only when necessary to break circular
+  dependencies or to keep `core/` free of heavy utility imports on
+  rarely-called paths (e.g. `help()`).
+- No `pkgutil` / `importlib` auto-discovery patterns.
+- No background/daemon threads.
+- No monkey-patching or runtime class mutation.
+- Do not use `__all__` in modules; instead, rely on explicit imports in
+  `__init__.py` to control the public API.
+- Do not use redundant `import X as X` aliases in `__init__.py`. Use
+  plain `from module import X`.
+- Concrete classes use `@Factory.register` decorators. To trigger
+  registration, each package's `__init__.py` must explicitly import
+  every concrete class (e.g.
+  `from .chebyshev import ChebyshevPolynomialBackground`). When adding a
+  new concrete class, always add its import to the corresponding
+  `__init__.py`.
+- Switchable categories (those whose implementation can be swapped at
+  runtime via a factory) follow a fixed naming convention on the owner
+  (experiment, structure, or analysis): `<category>` (read-only
+  property), `<category>_type` (getter + setter),
+  `show_supported_<category>_types()`, `show_current_<category>_type()`.
+  The owner class owns the type setter and the show methods; the show
+  methods delegate to `Factory.show_supported(...)` passing context.
+  Every factory-created category must have this full API, even if only
+  one implementation exists today.
+- Categories are flat siblings within their owner (datablock or
+  analysis). A category must never be a child of another category of a
+  different type. Categories can reference each other via IDs, but not
+  via parent-child nesting.
+- Every finite, closed set of values (factory tags, experiment axes,
+  category descriptors with enumerated choices) must use a `(str, Enum)`
+  class. Internal code compares against enum members, never raw strings.
+- Keep `core/` free of domain logic — only base classes and utilities.
+- Don't introduce a new abstraction until there is a concrete second use
+  case.
+- Don't add dependencies without asking.
+
+## Tutorials
+
+- Jupyter notebooks (`docs/docs/tutorials/*.ipynb`) are **generated
+  artifacts** — never edit them by hand. Edit only the corresponding
+  `*.py` script, then run `pixi run notebook-convert` followed by
+  `pixi run notebook-prepare` to regenerate the notebook.
+
+## Changes
+
+- Before implementing any structural or design change (new categories,
+  new factories, switchable-category wiring, new datablocks, CIF
+  serialisation changes), read `docs/architecture/architecture.md` to
+  understand the current design choices and conventions. Follow the
+  documented patterns (factory registration, switchable-category naming,
+  metadata classification, etc.) to stay consistent with the rest of the
+  codebase. For localised bug fixes or test updates, the rules in this
+  file are sufficient.
+- The project is in beta; do not keep legacy code or add deprecation
+  warnings. Instead, update tests and tutorials to follow the current
+  API.
+- Minimal diffs: don't rewrite working code just to reformat it.
+- Never remove or replace existing functionality as part of a new change
+  without explicit confirmation. If a refactor would drop features,
+  options, or configurations, highlight every removal and wait for
+  approval.
+- Fix only what's asked; flag adjacent issues as comments, don't fix
+  them silently.
+- Don't add new features or refactor existing code unless explicitly
+  asked.
+- Do not remove TODOs or comments unless the change fully resolves them.
+- When renaming, grep the entire project (code, tests, tutorials, docs).
+- Every change should be atomic and self-contained, small enough to be
+  described by a single commit message. Make one change, suggest the
+  commit message, then stop and wait for confirmation before starting
+  the next change.
+- When in doubt, ask for clarification before making changes.
+
+## Workflow
+
+- All open issues, design questions, and planned improvements are
+  tracked in `docs/architecture/issues_open.md`, ordered by priority.
+  When an issue is fully implemented, move it from that file to
+  `docs/architecture/issues_closed.md`. When the resolution affects the
+  architecture, update the relevant sections of
+  `docs/architecture/architecture.md`.
+- After changes, run linting and formatting fixes with `pixi run fix`.
+  Do not check what was auto-fixed, just accept the fixes and move on.
+- After changes, run unit tests with `pixi run unit-tests`.
+- After changes, run integration tests with
+  `pixi run integration-tests`.
+- After changes, run tutorial tests with `pixi run script-tests`.
+- Suggest a concise commit message (as a code block) after each change
+  (less than 72 characters, imperative mood, without prefixing with the
+  type of change). E.g.:
+  - Add ChebyshevPolynomialBackground class
+  - Implement background_type setter on Experiment
+  - Standardize switchable-category naming convention
diff --git a/.github/scripts/backmerge-conflict-issue.js b/.github/scripts/backmerge-conflict-issue.js
new file mode 100644
index 00000000..f6bd98b5
--- /dev/null
+++ b/.github/scripts/backmerge-conflict-issue.js
@@ -0,0 +1,69 @@
+module.exports = async ({ github, context, core }) => {
+  // Repo context
+  const owner = context.repo.owner
+  const repo = context.repo.repo
+
+  // Link to the exact workflow run that detected the conflict
+  const runUrl = `${context.serverUrl}/${owner}/${repo}/actions/runs/${context.runId}`
+
+  // We use a *stable title* so we can find/reuse the same "conflict tracker" issue
+  // instead of creating a new issue on every failed run.
+  const title = 'Backmerge conflict: master → develop'
+
+  // Comment/issue body includes the run URL so maintainers can jump straight to logs.
+  const body = [
+    'Automatic backmerge failed due to merge conflicts.',
+    '',
+    `Workflow run: ${runUrl}`,
+    '',
+    'Manual resolution required.',
+  ].join('\n')
+
+  // Label applied to the tracker issue (assumed to already exist in the repo).
+  const label = '[bot] backmerge'
+
+  // Search issues by title across *open and closed* issues.
+  // Why: if the conflict was resolved previously and the issue was closed,
+  // we prefer to reopen it and append a new comment instead of creating duplicates.
+  const q = `repo:${owner}/${repo} is:issue in:title "${title}"`
+  const search = await github.rest.search.issuesAndPullRequests({
+    q,
+    per_page: 10,
+  })
+
+  // Pick the first exact-title match (search can return partial matches).
+  const existing = search.data.items.find((i) => i.title === title)
+
+  if (existing) {
+    // If a tracker issue exists, reuse it:
+    // - reopen it if needed
+    // - add a comment with the new run URL
+    if (existing.state === 'closed') {
+      await github.rest.issues.update({
+        owner,
+        repo,
+        issue_number: existing.number,
+        state: 'open',
+      })
+    }
+
+    await github.rest.issues.createComment({
+      owner,
+      repo,
+      issue_number: existing.number,
+      body,
+    })
+
+    core.notice(`Conflict issue updated: #${existing.number}`)
+    return
+  }
+
+  // No tracker issue exists yet -> create the first one.
+  await github.rest.issues.create({
+    owner,
+    repo,
+    title,
+    body,
+    labels: [label],
+  })
+}
diff --git a/.github/workflows/backmerge.yaml b/.github/workflows/backmerge.yaml
deleted file mode 100644
index f69b5379..00000000
--- a/.github/workflows/backmerge.yaml
+++ /dev/null
@@ -1,66 +0,0 @@
-# This workflow automatically merges `master` into `develop` whenever a new version tag is pushed (v*).
-#
-# Key points:
-# - Directly merges master into develop without creating a PR.
-# - Skips CI on the merge commit using [skip ci] in the commit message.
-# - The code being merged has already been tested as part of the release process.
-# - This ensures develop stays up-to-date with release changes (version bumps, etc.).
-#
-# Required repo config:
-# https://github.com/organizations/easyscience/settings/secrets/actions
-# https://github.com/organizations/easyscience/settings/variables/actions
-# - Actions secret:   EASYSCIENCE_APP_KEY  (GitHub App private key PEM)
-# - Actions variable: EASYSCIENCE_APP_ID   (GitHub App ID)
-# The GitHub App must be added to the develop branch ruleset bypass list.
-
-name: Backmerge (master -> develop)
-
-on:
-  push:
-    tags: ['v*']
-
-permissions:
-  contents: write
-
-jobs:
-  backmerge:
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Create GitHub App installation token
-        id: app-token
-        uses: actions/create-github-app-token@v2
-        with:
-          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
-          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
-
-      - name: Checkout repository
-        uses: actions/checkout@v5
-        with:
-          fetch-depth: 0
-          token: ${{ steps.app-token.outputs.token }}
-
-      - name: Configure git for pushing
-        run: |
-          git config user.name "easyscience[bot]"
-          git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
-
-      - name: Merge master into develop
-        run: |
-          set -euo pipefail
-
-          TAG='${{ github.ref_name }}'
-
-          # Ensure local develop branch exists and is up-to-date with origin
-          git fetch origin develop:develop
-          # Switch to develop branch
-          git checkout develop
-
-          # Merge master into develop (no fast-forward to preserve history)
-          # Use [skip ci] to avoid triggering CI - the code was already tested on master
-          git merge origin/master --no-ff -m "Backmerge: ${TAG} from master into develop [skip ci]"
-
-          # Push the merge commit to develop
-          git push origin develop
-
-          echo "✅ Successfully merged master (${TAG}) into develop"
diff --git a/.github/workflows/backmerge.yml b/.github/workflows/backmerge.yml
new file mode 100644
index 00000000..47b3384a
--- /dev/null
+++ b/.github/workflows/backmerge.yml
@@ -0,0 +1,109 @@
+# This workflow automatically merges `master` into `develop` whenever a
+# new version release with a tag is published. It can also be triggered
+# manually via workflow_dispatch for cases where an automatic backmerge
+# is needed outside of the standard release process.
+# If a merge conflict occurs, the workflow creates an issue to notify
+# maintainers for manual resolution.
+
+name: Backmerge (master → develop)
+
+on:
+  release:
+    types: [published, prereleased]
+  workflow_dispatch:
+
+permissions:
+  contents: write
+  issues: write
+
+concurrency:
+  group: backmerge-master-into-develop
+  cancel-in-progress: false
+
+jobs:
+  backmerge:
+    runs-on: ubuntu-latest
+    timeout-minutes: 10
+
+    steps:
+      - name: Checkout repository (for local actions)
+        uses: actions/checkout@v5
+
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+          repositories: ${{ github.event.repository.name }}
+
+      - name: Checkout repository (with bot token)
+        uses: actions/checkout@v5
+        with:
+          fetch-depth: 0
+          token: ${{ steps.bot.outputs.token }}
+
+      - name: Configure git identity
+        run: |
+          git config user.name "easyscience[bot]"
+          git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
+
+      - name: Set merge message
+        run: |
+          if [[ "${{ github.event_name }}" == "workflow_dispatch" ]]; then
+            MESSAGE="Backmerge: master into develop (manual) [skip ci]"
+          else
+            TAG="${{ github.event.release.tag_name }}"
+            MESSAGE="Backmerge: master (${TAG}) into develop [skip ci]"
+          fi
+
+          echo "MESSAGE=$MESSAGE" >> "$GITHUB_ENV"
+          echo "message=$MESSAGE" >> "$GITHUB_OUTPUT"
+          echo "📝 Merge message: $MESSAGE" | tee -a "$GITHUB_STEP_SUMMARY"
+
+      - name: Prepare branches
+        run: |
+          git fetch origin master develop
+          git checkout -B develop origin/develop
+
+      - name: Check if develop is already up-to-date
+        id: up_to_date
+        run: |
+          if git merge-base --is-ancestor origin/master develop; then
+            echo "value=true" >> "$GITHUB_OUTPUT"
+            echo "ℹ️ Develop is already up-to-date with master" | tee -a "$GITHUB_STEP_SUMMARY"
+          else
+            echo "value=false" >> "$GITHUB_OUTPUT"
+          fi
+
+      - name: Try merge master into develop
+        id: merge
+        if: steps.up_to_date.outputs.value == 'false'
+        continue-on-error: true
+        run: |
+          if ! git merge origin/master --no-ff -m "${MESSAGE}"; then
+            echo "conflict=true" >> "$GITHUB_OUTPUT"
+            echo "❌ Backmerge conflict detected." | tee -a "$GITHUB_STEP_SUMMARY"
+            git status --porcelain || true
+            exit 0
+          fi
+
+          echo "conflict=false" >> "$GITHUB_OUTPUT"
+          echo "✅ Merge commit created." | tee -a "$GITHUB_STEP_SUMMARY"
+
+      - name: Push to develop (if merge succeeded)
+        if:
+          steps.up_to_date.outputs.value == 'false' && steps.merge.outputs.conflict ==
+          'false'
+        run: |
+          git push origin develop
+          echo "🚀 Backmerge successful: master → develop" | tee -a "$GITHUB_STEP_SUMMARY"
+
+      - name: Create issue (if merge failed with conflicts)
+        if: steps.merge.outputs.conflict == 'true'
+        uses: ./.github/actions/github-script
+        with:
+          github-token: ${{ steps.bot.outputs.token }}
+          script: |
+            const run = require('./.github/scripts/backmerge-conflict-issue.js')
+            await run({ github, context, core })
diff --git a/.github/workflows/cleanup.yaml b/.github/workflows/cleanup.yml
similarity index 88%
rename from .github/workflows/cleanup.yaml
rename to .github/workflows/cleanup.yml
index eef184db..7305679b 100644
--- a/.github/workflows/cleanup.yaml
+++ b/.github/workflows/cleanup.yml
@@ -22,8 +22,8 @@ on:
         default: 6
       delete_workflow_pattern:
         description:
-          'The name or filename of the workflow. if not set then it will target
-          all workflows.'
+          'The name or filename of the workflow. if not set then it will target all
+          workflows.'
         required: false
       delete_workflow_by_state_pattern:
         description:
@@ -40,8 +40,8 @@ on:
           - disabled_manually
       delete_run_by_conclusion_pattern:
         description:
-          'Remove workflow by conclusion: action_required, cancelled, failure,
-          skipped, success'
+          'Remove workflow by conclusion: action_required, cancelled, failure, skipped,
+          success'
         required: true
         default: 'All'
         type: choice
@@ -53,8 +53,13 @@ on:
           - skipped
           - success
       dry_run:
-        description: 'Only log actions, do not perform any delete operations.'
+        description: 'Only log actions, do not perform any delete operations (dry run).'
         required: false
+        default: 'false'
+        type: choice
+        options:
+          - 'false'
+          - 'true'
 
 jobs:
   del-runs:
@@ -71,8 +76,7 @@ jobs:
           repository: ${{ github.repository }}
           retain_days: ${{ github.event.inputs.days }}
           keep_minimum_runs: ${{ github.event.inputs.minimum_runs }}
-          delete_workflow_pattern:
-            ${{ github.event.inputs.delete_workflow_pattern }}
+          delete_workflow_pattern: ${{ github.event.inputs.delete_workflow_pattern }}
           delete_workflow_by_state_pattern:
             ${{ github.event.inputs.delete_workflow_by_state_pattern }}
           delete_run_by_conclusion_pattern:
diff --git a/.github/workflows/coverage.yaml b/.github/workflows/coverage.yml
similarity index 50%
rename from .github/workflows/coverage.yaml
rename to .github/workflows/coverage.yml
index 96ae3386..cd9ff1e0 100644
--- a/.github/workflows/coverage.yaml
+++ b/.github/workflows/coverage.yml
@@ -3,6 +3,8 @@ name: Coverage checks
 on:
   # Trigger the workflow on push
   push:
+    # Do not run on version tags (those are handled by other workflows)
+    tags-ignore: ['v*']
   # Trigger the workflow on pull request
   pull_request:
   # Allows you to run this workflow manually from the Actions tab
@@ -16,8 +18,7 @@ permissions:
 # Allow only one concurrent workflow, skipping runs queued between the run
 # in-progress and latest queued. And cancel in-progress runs.
 concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
   cancel-in-progress: true
 
 # Set the environment variables to be used in all jobs defined in this workflow
@@ -34,18 +35,7 @@ jobs:
         uses: actions/checkout@v5
 
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
+        uses: ./.github/actions/setup-pixi
 
       - name: Run docstring coverage
         run: pixi run docstring-coverage
@@ -59,34 +49,21 @@ jobs:
         uses: actions/checkout@v5
 
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
+        uses: ./.github/actions/setup-pixi
 
       - name: Run unit tests with coverage
         run: pixi run unit-tests-coverage --cov-report=xml:coverage-unit.xml
 
       - name: Upload unit tests coverage to Codecov
         if: ${{ !cancelled() }}
-        uses: codecov/codecov-action@v5
+        uses: ./.github/actions/upload-codecov
         with:
           name: unit-tests-job
           flags: unittests
           files: ./coverage-unit.xml
-          fail_ci_if_error: true
-          verbose: true
           token: ${{ secrets.CODECOV_TOKEN }}
 
-  # Job 3: Run integration tests with coverage and upload to Codecov
+  # Job 2: Run integration tests with coverage and upload to Codecov
   integration-tests-coverage:
     runs-on: ubuntu-latest
 
@@ -95,53 +72,23 @@ jobs:
         uses: actions/checkout@v5
 
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
+        uses: ./.github/actions/setup-pixi
 
       - name: Run integration tests with coverage
         run:
-          pixi run integration-tests-coverage
-          --cov-report=xml:coverage-integration.xml
+          pixi run integration-tests-coverage --cov-report=xml:coverage-integration.xml
 
       - name: Upload integration tests coverage to Codecov
         if: ${{ !cancelled() }}
-        uses: codecov/codecov-action@v5
+        uses: ./.github/actions/upload-codecov
         with:
           name: integration-tests-job
           flags: integration
           files: ./coverage-integration.xml
-          fail_ci_if_error: true
-          verbose: true
           token: ${{ secrets.CODECOV_TOKEN }}
 
-  # Job 4: Trigger dashboard build
-  dashboard-build-trigger:
+  # Job 4: Build and publish dashboard (reusable workflow)
+  run-reusable-workflows:
     needs: [docstring-coverage, unit-tests-coverage, integration-tests-coverage] # depend on the previous jobs
-
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Check-out repository
-        uses: actions/checkout@v5
-
-      - name: Trigger dashboard build
-        uses: actions/github-script@v7
-        with:
-          github-token: ${{ secrets.GITHUB_TOKEN }}
-          script: |
-            await github.rest.actions.createWorkflowDispatch({
-              owner: context.repo.owner,
-              repo: context.repo.repo,
-              workflow_id: "dashboard.yaml",
-              ref: "${{ env.CI_BRANCH }}"
-            });
+    uses: ./.github/workflows/dashboard.yml
+    secrets: inherit
diff --git a/.github/workflows/dashboard.yaml b/.github/workflows/dashboard.yml
similarity index 66%
rename from .github/workflows/dashboard.yaml
rename to .github/workflows/dashboard.yml
index 71d64401..5159f71b 100644
--- a/.github/workflows/dashboard.yaml
+++ b/.github/workflows/dashboard.yml
@@ -4,12 +4,8 @@ on:
   workflow_dispatch:
   workflow_call:
 
-# Allow only one concurrent workflow, skipping runs queued between the run
-# in-progress and latest queued. And cancel in-progress runs.
-concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
-  cancel-in-progress: true
+permissions:
+  contents: read
 
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
@@ -24,78 +20,83 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-      # Create GitHub App token for pushing to external dashboard repo.
-      # The 'repositories' parameter is required to grant access to repos
-      # other than the one where the workflow is running.
-      - name: Create GitHub App installation token
-        id: app-token
-        uses: actions/create-github-app-token@v2
-        with:
-          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
-          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
-          repositories: |
-            ${{ github.event.repository.name }}
-            dashboard
-
       - name: Checkout repository
         uses: actions/checkout@v5
         with:
           fetch-depth: 0
 
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
+        uses: ./.github/actions/setup-pixi
+
+      - name: Install badgery
         shell: bash
-        run: |
-          pixi run dev
-          pixi add --pypi --git https://github.com/enhantica/badgery badgery
+        run: pixi add --pypi --git https://github.com/enhantica/badgery badgery
 
       - name: Run docstring coverage and code complexity/maintainability checks
         run: |
-          for BRANCH in ${{ env.DEFAULT_BRANCH }} ${{ env.DEVELOP_BRANCH }} ${{ env.CI_BRANCH }}; do
-            echo "=== Processing branch $BRANCH ==="
+          for BRANCH in $DEFAULT_BRANCH $DEVELOP_BRANCH $CI_BRANCH; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Processing branch $BRANCH 🔹🔸🔹🔸🔹"
             if [ -d "../$BRANCH" ]; then
               echo "Branch $BRANCH already processed, skipping"
               continue
             fi
+
             git worktree add ../$BRANCH origin/$BRANCH
             mkdir -p reports/$BRANCH
+
             echo "Docstring coverage for branch $BRANCH"
             pixi run interrogate -c pyproject.toml --fail-under=0 ../$BRANCH/src > reports/$BRANCH/coverage-docstring.txt
+
             echo "Cyclomatic complexity for branch $BRANCH"
             pixi run radon cc -s -j ../$BRANCH/src > reports/$BRANCH/cyclomatic-complexity.json
+
             echo "Maintainability index for branch $BRANCH"
             pixi run radon mi -j ../$BRANCH/src > reports/$BRANCH/maintainability-index.json
+
             echo "Raw metrics for branch $BRANCH"
             pixi run radon raw -s -j ../$BRANCH/src > reports/$BRANCH/raw-metrics.json
           done
 
       - name: Generate dashboard HTML
         run: >
-          pixi run python -m badgery --config .badgery.yaml --repo ${{
-          github.repository }} --branch ${{ env.CI_BRANCH }} --output index.html
+          pixi run python -m badgery --config .badgery.yaml --repo ${{ github.repository
+          }} --branch ${{ env.CI_BRANCH }} --output index.html
 
       - name: Prepare publish directory
         run: |
           mkdir -p _dashboard_publish/${{ env.REPO_NAME }}/${{ env.CI_BRANCH }}
           cp index.html _dashboard_publish/${{ env.REPO_NAME }}/${{ env.CI_BRANCH }}
 
+      # Create GitHub App token for pushing to external dashboard repo.
+      # The 'repositories' parameter is required to grant access to repos
+      # other than the one where the workflow is running.
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+          repositories: |
+            ${{ github.event.repository.name }}
+            dashboard
+
+      # Publish to external dashboard repository with retry logic.
+      # Retry is needed to handle transient GitHub API/authentication issues
+      # that occasionally cause 403 errors when multiple workflows push concurrently.
+      # Uses personal_token (not github_token) as GITHUB_TOKEN cannot access external repos.
       - name: Publish to main branch of ${{ github.repository }}
-        uses: peaceiris/actions-gh-pages@v3
+        uses: Wandalen/wretry.action@v3.8.0
         with:
-          external_repository: ${{ env.REPO_OWNER }}/dashboard
-          publish_branch: ${{ env.DEFAULT_BRANCH }}
-          personal_token: ${{ steps.app-token.outputs.token }}
-          publish_dir: ./_dashboard_publish
-          keep_files: true
+          attempt_limit: 3
+          attempt_delay: 15000 # 15 seconds between retries
+          action: peaceiris/actions-gh-pages@v4
+          with: |
+            publish_dir: ./_dashboard_publish
+            keep_files: true
+            external_repository: ${{ env.REPO_OWNER }}/dashboard
+            publish_branch: master
+            personal_token: ${{ steps.bot.outputs.token }}
 
       - name: Add dashboard link to summary
         run: |
diff --git a/.github/workflows/docs.yaml b/.github/workflows/docs.yml
similarity index 66%
rename from .github/workflows/docs.yaml
rename to .github/workflows/docs.yml
index f9bddf67..66b06e1d 100644
--- a/.github/workflows/docs.yaml
+++ b/.github/workflows/docs.yml
@@ -14,16 +14,16 @@
 name: Docs build and deployment
 
 on:
-  # Trigger the workflow on pull request
-  pull_request:
-    # Selected branches
-    branches: [master, main, develop]
   # Trigger the workflow on push
   push:
     # Selected branches
-    branches: [master, main, develop]
+    branches: [develop] # master and main are already verified in PR
     # Runs on creating a new tag starting with 'v', e.g. 'v1.0.3'
     tags: ['v*']
+  # Trigger the workflow on pull request
+  pull_request:
+    # Selected branches
+    branches: [master, main, develop]
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
@@ -53,11 +53,7 @@ jobs:
   # Single job that builds and deploys documentation.
   # Uses macOS runner for consistent Plotly chart rendering.
   build-deploy-docs:
-    strategy:
-      matrix:
-        os: [macos-14]
-
-    runs-on: ${{ matrix.os }}
+    runs-on: ubuntu-latest # macos-latest
 
     permissions:
       contents: write # Required for pushing to the gh-pages branch
@@ -83,22 +79,11 @@ jobs:
           fi
           echo "RELEASE_VERSION=${RELEASE_VERSION}" >> "$GITHUB_ENV"
           echo "DOCS_VERSION=${DOCS_VERSION}" >> "$GITHUB_ENV"
-          echo "DEPLOYMENT_URL=https://easyscience.github.io/${{ github.event.repository.name }}/${DOCS_VERSION}" >> "$GITHUB_ENV"
-
-      # Create GitHub App token for pushing to gh-pages as easyscience[bot].
-      - name: Create GitHub App installation token
-        id: app-token
-        uses: actions/create-github-app-token@v2
-        with:
-          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
-          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
 
       # Check out the repository source code.
       # Note: The gh-pages branch is fetched separately later for mike deployment.
-      - name: Check-out repository
+      - name: Checkout repository
         uses: actions/checkout@v5
-        with:
-          token: ${{ steps.app-token.outputs.token }}
 
       # Activate dark mode to create documentation with Plotly charts in dark mode
       # Need a better solution to automatically switch the chart colour theme based on the mkdocs material switcher
@@ -114,83 +99,53 @@ jobs:
       # Set up the pixi package manager and install dependencies from pixi.toml.
       # Uses frozen lockfile to ensure reproducible builds.
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      # Install additional development dependencies (e.g., pre-commit hooks, dev tools).
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
-
-      # Clone shared documentation assets and branding resources from external repositories.
-      # These contain common MkDocs configuration, templates, stylesheets, and images.
-      - name: Clone easyscience/assets-docs and easyscience/assets-branding
-        run: |
-          cd ..
-          git clone https://github.com/easyscience/assets-docs.git
-          git clone https://github.com/easyscience/assets-branding.git
-
-      # Copy assets from the cloned repositories into the docs/ directory.
-      # This includes stylesheets, images, templates, and other shared resources.
-      - name: Add files from cloned repositories
-        run: pixi run docs-assets
-
-      # Convert Python scripts in the tutorials/ directory to Jupyter notebooks.
-      # This step also strips any existing output from the notebooks and prepares
-      # them for documentation.
-      - name: Convert tutorial scripts to notebooks
-        run: pixi run notebook-prepare
-
-      # Pre-import the main package to trigger Matplotlib font cache building.
-      # This avoids "Matplotlib is building the font cache" messages during notebook execution.
+        uses: ./.github/actions/setup-pixi
+      # Pre-import the main package to exclude info messages from the docs
+      # E.g., Matplotlib may print messages to stdout/stderr when first
+      # imported. This step allows to avoid "Matplotlib is building the font
+      # cache" messages during notebook execution.
       - name: Pre-build site step
         run: pixi run python -c "import easydiffraction"
 
+      # Prepare the Jupyter notebooks for documentation (strip output, etc.).
+      - name: Prepare notebooks
+        run: pixi run notebook-prepare
+
       # Execute all Jupyter notebooks to generate output cells (plots, tables, etc.).
       # Uses multiple cores for parallel execution to speed up the process.
       - name: Run notebooks
-        #  if: false # Temporarily disabled to speed up the docs build
+        # if: false # Temporarily disabled to speed up the docs build
         run: pixi run notebook-exec
 
-      # Move the executed notebooks to docs/tutorials/ directory
-      # so they can be included in the documentation site.
-      - name: Move notebooks to docs/tutorials
-        run: pixi run docs-notebooks
-
-      # Create the mkdocs.yml configuration file
-      # The file is created by merging two files:
-      # - assets-docs/mkdocs.yml - the common configuration (theme, plugins, etc.)
-      # - docs/mkdocs.yml - the project-specific configuration (project name, TOC, etc.)
-      - name: Create mkdocs.yml file
-        run: pixi run docs-config
-
       # Build the static files for the documentation site for local inspection
       # Input: docs/ directory containing the Markdown files
       # Output: site/ directory containing the generated HTML files
       - name: Build site for local check
-        run: pixi run docs-local
+        run: pixi run docs-build-local
 
       # Upload the static files from the site/ directory to be used for
       # local check
       - name: Upload built site as artifact
-        uses: actions/upload-artifact@v4
+        uses: ./.github/actions/upload-artifact
+        with:
+          name: site-local_easydiffraction-lib-${{ env.RELEASE_VERSION }}
+          path: docs/site/
+
+      # Create GitHub App token for pushing to gh-pages as easyscience[bot].
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
         with:
-          name: site-local_edl-${{ env.RELEASE_VERSION }}
-          path: site/
-          if-no-files-found: 'error'
-          compression-level: 0
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
 
-      # Configure git user for mike to commit and push to gh-pages branch.
+      # Configure git identity and remote URL so mike pushes as easyscience[bot].
       - name: Configure git for pushing
         run: |
+          set -euo pipefail
           git config user.name "easyscience[bot]"
           git config user.email "${{ vars.EASYSCIENCE_APP_ID }}+easyscience[bot]@users.noreply.github.com"
+          git remote set-url origin "https://x-access-token:${{ steps.bot.outputs.token }}@github.com/${{ github.repository }}.git"
 
       # Fetch the gh-pages branch to ensure mike has the latest remote state.
       # This is required because the checkout step only fetches the source branch,
@@ -206,10 +161,24 @@ jobs:
       # Also sets 'latest' as the default version for the version selector.
       - name: Rebuild and deploy docs with mike
         run: |
+          # Exit on error (-e), undefined vars (-u), and pipeline failures (pipefail)
+          set -euo pipefail
+
+          REPO_NAME="${{ github.event.repository.name }}"
+          BASE_URL="https://easyscience.github.io/${REPO_NAME}"
+
+          # Deploy the release version and update the "latest" alias
           if [[ "${IS_RELEASE_TAG}" == "true" ]]; then
-            pixi run docs-deploy "${RELEASE_VERSION#v}" latest
+            pixi run docs-deploy-pre "${RELEASE_VERSION#v}" latest
+            pixi run docs-set-default-pre latest
+            DEPLOYMENT_URL="${BASE_URL}/latest"
+
+          # Deploy/update the "dev" alias (or whatever your convention is)
           else
-            pixi run docs-deploy dev
+            pixi run docs-deploy-pre dev
+            DEPLOYMENT_URL="${BASE_URL}/dev"
+
           fi
-          pixi run docs-set-default latest
-          echo "🔗 deployment url [${{ env.DEPLOYMENT_URL }}](${{ env.DEPLOYMENT_URL }})" >> $GITHUB_STEP_SUMMARY
+
+          # Add links to the action summary page for easy access
+          echo "🔗 deployment url [${DEPLOYMENT_URL}](${DEPLOYMENT_URL})" >> "${GITHUB_STEP_SUMMARY}"
diff --git a/.github/workflows/issues-labels.yml b/.github/workflows/issues-labels.yml
new file mode 100644
index 00000000..3a60cdd7
--- /dev/null
+++ b/.github/workflows/issues-labels.yml
@@ -0,0 +1,42 @@
+# Verifies if an issue has at least one of the `[scope]` and one of the
+# `[priority]` labels. If not, the bot adds labels with a warning emoji
+# to indicate that those labels need to be added.
+
+name: Issue labels check
+
+on:
+  issues:
+    types: [opened, labeled, unlabeled]
+
+permissions:
+  issues: write
+
+jobs:
+  check-labels:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
+      - name: Check for required [scope] label
+        uses: trstringer/require-label-prefix@v1
+        with:
+          secret: ${{ steps.bot.outputs.token }}
+          prefix: '[scope]'
+          labelSeparator: ' '
+          addLabel: true
+          defaultLabel: '[scope] ⚠️ label needed'
+
+      - name: Check for required [priority] label
+        uses: trstringer/require-label-prefix@v1
+        with:
+          secret: ${{ steps.bot.outputs.token }}
+          prefix: '[priority]'
+          labelSeparator: ' '
+          addLabel: true
+          defaultLabel: '[priority] ⚠️ label needed'
diff --git a/.github/workflows/lint-format.yml b/.github/workflows/lint-format.yml
new file mode 100644
index 00000000..f1135fa5
--- /dev/null
+++ b/.github/workflows/lint-format.yml
@@ -0,0 +1,124 @@
+# The workflow checks
+#  - the validity of pyproject.toml,
+#  - the presence and correctness of SPDX license headers,
+#  - linting and formatting of Python code,
+#  - linting and formatting of docstrings in Python code,
+#  - formatting of non-Python files (like markdown and toml).
+#  - linting of Python code in Jupyter notebooks (for library template).
+#
+# A summary of the checks is added to the GitHub Actions summary.
+
+name: Lint and format checks
+
+on:
+  # Trigger the workflow on push
+  push:
+    branches-ignore: [master, main] # Already verified in PR
+    # Do not run this workflow on creating a new tag starting with
+    # 'v', e.g. 'v1.0.3' (see publish-pypi.yml)
+    tags-ignore: ['v*']
+  # Trigger the workflow on pull request
+  pull_request:
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# Allow only one concurrent workflow, skipping runs queued between the run
+# in-progress and latest queued. And cancel in-progress runs.
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  cancel-in-progress: true
+
+permissions:
+  contents: read
+
+# Set the environment variables to be used in all jobs defined in this workflow
+env:
+  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
+
+jobs:
+  lint-format:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v5
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+
+      - name: Run post-install developer steps
+        run: pixi run post-install
+
+      - name: Check validity of pyproject.toml
+        id: pyproject
+        continue-on-error: true
+        shell: bash
+        run: pixi run pyproject-check
+
+      - name: Check SPDX license headers
+        id: license_headers
+        continue-on-error: true
+        shell: bash
+        run: pixi run license-check
+
+      - name: Check linting of Python code
+        id: py_lint
+        continue-on-error: true
+        shell: bash
+        run: pixi run py-lint-check
+
+      - name: Check formatting of Python code
+        id: py_format
+        continue-on-error: true
+        shell: bash
+        run: pixi run py-format-check
+
+      - name: Check linting of docstrings in Python code
+        id: docstring_lint
+        continue-on-error: true
+        shell: bash
+        run: pixi run docstring-lint-check
+
+      - name: Check formatting of non-Python files (md, toml, etc.)
+        id: nonpy_format
+        continue-on-error: true
+        shell: bash
+        run: pixi run nonpy-format-check
+
+      - name: Check linting of Python code in Jupyter notebooks (ipynb)
+        id: notebook_lint
+        continue-on-error: true
+        shell: bash
+        run: pixi run notebook-lint-check
+
+      # Add summary
+      - name: Add quality checks summary
+        if: always()
+        shell: bash
+        run: |
+          {
+            echo "## 🧪 Checks Summary"
+            echo ""
+            echo "| Check | Status |"
+            echo "|-------|--------|"
+            echo "| pyproject.toml   | ${{ steps.pyproject.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| license headers  | ${{ steps.license_headers.outcome == 'success' && '✅'  || '❌' }} |"
+            echo "| py lint          | ${{ steps.py_lint.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| py format        | ${{ steps.py_format.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| docstring lint   | ${{ steps.docstring_lint.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| nonpy format     | ${{ steps.nonpy_format.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| notebooks lint   | ${{ steps.notebook_lint.outcome == 'success' && '✅' || '❌' }} |"
+          } >> "$GITHUB_STEP_SUMMARY"
+
+      # Fail job if any check failed
+      - name: Fail job if any check failed
+        if: |
+          steps.pyproject.outcome == 'failure'
+          || steps.license_headers.outcome == 'failure'
+          || steps.py_lint.outcome == 'failure'
+          || steps.py_format.outcome == 'failure'
+          || steps.docstring_lint.outcome == 'failure'
+          || steps.nonpy_format.outcome == 'failure'
+          || steps.notebook_lint.outcome == 'failure'
+        shell: bash
+        run: exit 1
diff --git a/.github/workflows/labels.yaml b/.github/workflows/pr-labels.yml
similarity index 70%
rename from .github/workflows/labels.yaml
rename to .github/workflows/pr-labels.yml
index 1e8bd846..642cd318 100644
--- a/.github/workflows/labels.yaml
+++ b/.github/workflows/pr-labels.yml
@@ -1,7 +1,16 @@
 # Verifies if a pull request has at least one label from a set of valid
 # labels before it can be merged.
+#
+# NOTE:
+# This workflow may be triggered twice in quick succession when a PR is
+# created:
+#   1) `opened`  — when the pull request is initially created
+#   2) `labeled` — if labels are added immediately after creation
+# (e.g. by manual labeling, another workflow, or GitHub App).
+#
+# These are separate GitHub events, so two workflow runs can be started.
 
-name: PR label checks
+name: PR labels check
 
 on:
   pull_request_target:
@@ -11,15 +20,17 @@ permissions:
   pull-requests: read
 
 jobs:
-  require-label:
+  check-labels:
     runs-on: ubuntu-latest
+
     steps:
-      - name: Validate required labels
+      - name: Check for valid labels
         run: |
           PR_LABELS=$(echo '${{ toJson(github.event.pull_request.labels.*.name) }}' | jq -r '.[]')
+
           echo "Current PR labels: $PR_LABELS"
           VALID_LABELS=(
-            "[maintainer] auto-pull-request"
+            "[bot] release"
             "[scope] bug"
             "[scope] documentation"
             "[scope] enhancement"
diff --git a/.github/workflows/pypi-publish.yaml b/.github/workflows/pypi-publish.yaml
deleted file mode 100644
index 7767f8d2..00000000
--- a/.github/workflows/pypi-publish.yaml
+++ /dev/null
@@ -1,43 +0,0 @@
-# Builds a Python package and publish it to PyPI when a new tag is
-# created.
-
-name: PyPI publishing
-
-on:
-  # Runs on creating a new tag starting with 'v', e.g. 'v1.0.3'
-  push:
-    tags: ['v*']
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-jobs:
-  pypi-publish:
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Check-out repository
-        uses: actions/checkout@v5
-        with:
-          fetch-depth: '0' # full history with tags to get the version number by versioningit
-
-      - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
-
-      - name: Create Python package
-        run: pixi run python -m build
-
-      - name: Publish distribution 📦 to PyPI
-        uses: pypa/gh-action-pypi-publish@release/v1
-        with:
-          password: ${{ secrets.PYPI_PASSWORD }}
diff --git a/.github/workflows/pypi-publish.yml b/.github/workflows/pypi-publish.yml
new file mode 100644
index 00000000..e9986cac
--- /dev/null
+++ b/.github/workflows/pypi-publish.yml
@@ -0,0 +1,46 @@
+# Builds a Python package and publish it to PyPI when a new tag is
+# created.
+
+name: PyPI publishing
+
+on:
+  # Runs on creating a new tag starting with 'v', e.g. 'v1.0.3'
+  push:
+    tags: ['v*']
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+jobs:
+  pypi-publish:
+    runs-on: ubuntu-latest
+
+    permissions:
+      contents: read
+      id-token: write # IMPORTANT: this permission is mandatory for trusted publishing
+
+    steps:
+      - name: Check-out repository
+        uses: actions/checkout@v5
+        with:
+          fetch-depth: 0 # full history with tags to get the version number by versioningit
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+
+      # Build the Python package (to dist/ folder)
+      - name: Create Python package
+        run: pixi run default-build
+
+      # Publish the package to PyPI (from dist/ folder)
+      # Instead of publishing with personal access token, we use
+      # GitHub Actions OIDC to get a short-lived token from PyPI.
+      # New publisher must be previously configured in PyPI at
+      # https://pypi.org/manage/project/easydiffraction/settings/publishing/
+      # Use the following data:
+      # Owner: easyscience
+      # Repository name: diffraction-lib
+      # Workflow name: pypi-publish.yml
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          packages-dir: 'dist'
diff --git a/.github/workflows/pypi-test.yaml b/.github/workflows/pypi-test.yaml
deleted file mode 100644
index e083846e..00000000
--- a/.github/workflows/pypi-test.yaml
+++ /dev/null
@@ -1,97 +0,0 @@
-name: PyPI package tests
-
-on:
-  # Run daily, at 00:00.
-  schedule:
-    - cron: '0 0 * * *'
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-# Allow only one concurrent workflow, skipping runs queued between the run
-# in-progress and latest queued. And cancel in-progress runs.
-concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
-  cancel-in-progress: true
-
-# Set the environment variables to be used in all jobs defined in this workflow
-env:
-  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-  DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
-
-jobs:
-  # Job 1: Test installation from PyPI on multiple OS
-  pypi-package-tests:
-    strategy:
-      matrix:
-        os: [ubuntu-latest, windows-latest, macos-latest]
-
-    runs-on: ${{ matrix.os }}
-
-    steps:
-      - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          run-install: false
-          cache: false
-          post-cleanup: false
-
-      - name:
-          Download the pixi configuration file from the ${{ env.CI_BRANCH}}
-          branch
-        shell: bash
-        run: |
-          curl -LO https://raw.githubusercontent.com/easyscience/diffraction-lib/${CI_BRANCH}/pixi.toml
-
-      - name: Download the tests from the ${{ env.DEFAULT_BRANCH }} branch
-        shell: bash
-        run: |
-          curl -LO https://github.com/easyscience/diffraction-lib/archive/refs/heads/${DEFAULT_BRANCH}.zip
-          unzip ${DEFAULT_BRANCH}.zip -d .
-          mkdir -p tests
-          cp -r diffraction-lib-${DEFAULT_BRANCH}/tests/* tests/
-          cp diffraction-lib-${DEFAULT_BRANCH}/pytest.ini .
-          rm -rf ${DEFAULT_BRANCH}.zip diffraction-lib-${DEFAULT_BRANCH}
-
-      - name: Create the environment and install dependencies
-        run: pixi install
-
-      - name: Run unit tests to verify the installation
-        run: pixi run unit-tests
-
-      - name: Run integration tests to verify the installation
-        run: pixi run integration-tests
-
-      # Github token to avoid hitting the unauthenticated API rate limit
-      - name: List and fetch the EasyDiffraction tutorials
-        env:
-          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
-        run: |
-          pixi run easydiffraction --version
-          pixi run easydiffraction list-tutorials
-          pixi run easydiffraction download-all-tutorials
-
-      - name: Test tutorials as notebooks
-        run: pixi run notebook-tests
-
-  # Job 2: Trigger dashboard build
-  dashboard-build-trigger:
-    needs: pypi-package-tests
-
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Check-out repository
-        uses: actions/checkout@v5
-
-      - name: Trigger dashboard build
-        uses: actions/github-script@v7
-        with:
-          github-token: ${{ secrets.GITHUB_TOKEN }}
-          script: |
-            await github.rest.actions.createWorkflowDispatch({
-              owner: context.repo.owner,
-              repo: context.repo.repo,
-              workflow_id: "dashboard.yaml",
-              ref: "${{ env.CI_BRANCH }}"
-            });
diff --git a/.github/workflows/pypi-test.yml b/.github/workflows/pypi-test.yml
new file mode 100644
index 00000000..6493e64f
--- /dev/null
+++ b/.github/workflows/pypi-test.yml
@@ -0,0 +1,80 @@
+name: PyPI package tests
+
+on:
+  # Run daily, at 00:00.
+  schedule:
+    - cron: '0 0 * * *'
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# Allow only one concurrent workflow, skipping runs queued between the run
+# in-progress and latest queued. And cancel in-progress runs.
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  cancel-in-progress: true
+
+permissions:
+  contents: read
+
+# Set the environment variables to be used in all jobs defined in this workflow
+env:
+  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
+  DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
+
+jobs:
+  # Job 1: Test installation from PyPI on multiple OS
+  pypi-package-tests:
+    strategy:
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-latest]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v5
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+        with:
+          environments: ''
+          activate-environment: ''
+          run-install: false
+          frozen: false
+
+      - name: Init pixi project
+        run: pixi init easydiffraction
+
+      - name: Add Python 3.13 from Conda
+        working-directory: easydiffraction
+        run: pixi add "python=3.13"
+
+      - name: Add other Conda dependencies
+        working-directory: easydiffraction
+        run: pixi add gsl
+
+      - name: Add easydiffraction from PyPI
+        working-directory: easydiffraction
+        run: pixi add --pypi "easydiffraction"
+
+      - name: Add dev dependencies from PyPI
+        working-directory: easydiffraction
+        run: pixi add --pypi pytest pytest-xdist
+
+      - name: Add Pixi task as a shortcut
+        working-directory: easydiffraction
+        run: pixi task add easydiffraction "python -m easydiffraction"
+
+      - name: Run unit tests to verify the installation
+        working-directory: easydiffraction
+        run: pixi run python -m pytest ../tests/unit/ --color=yes -v
+
+      - name: Run integration tests to verify the installation
+        working-directory: easydiffraction
+        run: pixi run python -m pytest ../tests/integration/ --color=yes -n auto
+
+  # Job 2: Build and publish dashboard (reusable workflow)
+  run-reusable-workflows:
+    needs: pypi-package-tests # depend on previous job
+    uses: ./.github/workflows/dashboard.yml
+    secrets: inherit
diff --git a/.github/workflows/quality.yaml b/.github/workflows/quality.yaml
deleted file mode 100644
index a3c1b72a..00000000
--- a/.github/workflows/quality.yaml
+++ /dev/null
@@ -1,123 +0,0 @@
-# The workflow is divided into several steps to ensure code quality:
-#    - Check the validity of pyproject.toml
-#    - Check code linting
-#    - Check code formatting
-#    - Check formatting of docstrings in the code
-#    - Check formatting of Markdown, YAML, TOML, etc. files
-
-name: Code quality checks
-
-on:
-  # Trigger the workflow on push
-  push:
-    # Every branch
-    branches: ['**']
-    # Do not run this workflow on creating a new tag starting with
-    # 'v', e.g. 'v1.0.3' (see publish-pypi.yml)
-    tags-ignore: ['v*']
-  # Trigger the workflow on pull request
-  pull_request:
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-# Allow only one concurrent workflow, skipping runs queued between the run
-# in-progress and latest queued. And cancel in-progress runs.
-concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
-  cancel-in-progress: true
-
-# Set the environment variables to be used in all jobs defined in this workflow
-env:
-  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-
-jobs:
-  code-quality:
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Checkout repository
-        uses: actions/checkout@v5
-
-      - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
-
-      # Check the validity of pyproject.toml
-      - name: Check validity of pyproject.toml
-        id: check_pyproject
-        continue-on-error: true
-        shell: bash
-        run: pixi run pyproject-check
-
-      # Check code linting with Ruff in the project root
-      - name: Check code linting
-        id: check_code_linting
-        continue-on-error: true
-        shell: bash
-        run: pixi run py-lint-check
-
-      # Check code formatting with Ruff in the project root
-      - name: Check code formatting
-        id: check_code_formatting
-        continue-on-error: true
-        shell: bash
-        run: pixi run py-format-check
-
-      # Check formatting of docstrings in the code with docformatter
-      - name: Check formatting of docstrings in the code
-        id: check_docs_formatting
-        continue-on-error: true
-        shell: bash
-        run: pixi run docs-format-check
-
-      # Check formatting of MD, YAML, TOML, etc. files with Prettier in
-      # the project root
-      - name: Check formatting of MD, YAML, TOML, etc. files
-        id: check_others_formatting
-        continue-on-error: true
-        shell: bash
-        run: pixi run nonpy-format-check
-
-      # Check formatting of Jupyter Notebooks in the tutorials folder
-      - name: Convert tutorial scripts to notebooks and check formatting
-        id: check_notebooks_formatting
-        continue-on-error: true
-        shell: bash
-        run: |
-          pixi run notebook-prepare
-          pixi run notebook-format-check
-
-      # Add summary
-      - name: Add quality checks summary
-        if: always()
-        shell: bash
-        run: |
-          {
-            echo "## 🧪 Code Quality Checks Summary"
-            echo ""
-            echo "| Check | Status |"
-            echo "|-------|--------|"
-            echo "| pyproject.toml   | ${{ steps.check_pyproject.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| py lint          | ${{ steps.check_code_linting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| py format        | ${{ steps.check_code_formatting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| docstring format | ${{ steps.check_docs_formatting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| nonpy format     | ${{ steps.check_others_formatting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| notebooks format | ${{ steps.check_notebooks_formatting.outcome == 'success' && '✅' || '❌' }} |"
-          } >> "$GITHUB_STEP_SUMMARY"
-
-      # Fail job requirement
-      - name: Fail job if any check failed
-        if: failure()
-        shell: bash
-        run: exit 1
diff --git a/.github/workflows/release-notes.yaml b/.github/workflows/release-notes.yml
similarity index 81%
rename from .github/workflows/release-notes.yaml
rename to .github/workflows/release-notes.yml
index 73006ff2..cb3e28d6 100644
--- a/.github/workflows/release-notes.yaml
+++ b/.github/workflows/release-notes.yml
@@ -25,18 +25,14 @@ jobs:
           fetch-depth: 0 # full history with tags to get the version number
 
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
+        uses: ./.github/actions/setup-pixi
 
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
 
       - name: Drafts the next release notes
         id: draft
@@ -61,9 +57,8 @@ jobs:
                 labels: ['[scope] bug']
               - title: 'Changed'
                 labels: ['[scope] maintenance', '[scope] documentation']
-
         env:
-          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+          GITHUB_TOKEN: ${{ steps.bot.outputs.token }}
 
       - name: Create GitHub draft release
         uses: softprops/action-gh-release@v2
@@ -73,4 +68,4 @@ jobs:
           name: ${{ steps.draft.outputs.release_name }}
           body: ${{ steps.draft.outputs.release_notes }}
         env:
-          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+          GITHUB_TOKEN: ${{ steps.bot.outputs.token }}
diff --git a/.github/workflows/release-pr.yaml b/.github/workflows/release-pr.yaml
deleted file mode 100644
index eda67884..00000000
--- a/.github/workflows/release-pr.yaml
+++ /dev/null
@@ -1,57 +0,0 @@
-# This workflow creates an automated release PR from `develop` into `master`.
-#
-# Usage:
-#   - Triggered manually via workflow_dispatch.
-#   - Creates a PR titled "Release: merge develop into master".
-#   - Adds the label "[maintainer] auto-pull-request" so it is excluded from changelogs.
-#   - The PR body makes clear that this is automation only (no review needed).
-#
-# Required repo config:
-# https://github.com/organizations/easyscience/settings/secrets/actions
-# https://github.com/organizations/easyscience/settings/variables/actions
-# - Actions secret:   EASYSCIENCE_APP_KEY  (GitHub App private key PEM)
-# - Actions variable: EASYSCIENCE_APP_ID   (GitHub App ID)
-
-name: Release PR (develop -> master)
-
-on:
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-permissions:
-  contents: read
-  pull-requests: write
-
-# Set the environment variables to be used in all jobs defined in this workflow
-env:
-  DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
-
-jobs:
-  create-pull-request:
-    runs-on: ubuntu-latest
-    steps:
-      - name: Create GitHub App installation token
-        id: app-token
-        uses: actions/create-github-app-token@v2
-        with:
-          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
-          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
-
-      - name: Checkout develop branch
-        uses: actions/checkout@v5
-        with:
-          ref: develop
-          token: ${{ steps.app-token.outputs.token }}
-
-      - name: Create PR from develop to ${{ env.DEFAULT_BRANCH }}
-        run: |
-          gh pr create \
-            --base ${{ env.DEFAULT_BRANCH }} \
-            --head develop \
-            --title "Release: merge develop into ${{ env.DEFAULT_BRANCH }}" \
-            --label "[maintainer] auto-pull-request" \
-            --body "This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from \`develop\` into \`${{ env.DEFAULT_BRANCH }}\`.
-
-            It is labeled \`[maintainer] auto-pull-request\` and is excluded from release notes and version bump logic."
-        env:
-          GH_TOKEN: ${{ steps.app-token.outputs.token }}
diff --git a/.github/workflows/release-pr.yml b/.github/workflows/release-pr.yml
new file mode 100644
index 00000000..7e6fda49
--- /dev/null
+++ b/.github/workflows/release-pr.yml
@@ -0,0 +1,55 @@
+# This workflow creates an automated release PR from a source branch into the default branch.
+#
+# Usage:
+#   - Triggered manually via workflow_dispatch.
+#   - Creates a PR titled "Release: merge <source> into <default>".
+#   - Adds the label "[bot] release" so it is excluded from changelogs.
+#   - The PR body makes clear that this is automation only (no review needed).
+
+name: 'Release PR (develop → master)'
+
+on:
+  workflow_dispatch:
+    inputs:
+      source_branch:
+        description: 'Source branch to create PR from'
+        required: false
+        default: 'develop'
+        type: string
+
+permissions:
+  contents: read
+  pull-requests: write
+
+env:
+  DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
+  SOURCE_BRANCH: ${{ inputs.source_branch || 'develop' }}
+
+jobs:
+  create-pull-request:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout ${{ env.SOURCE_BRANCH }} branch
+        uses: actions/checkout@v5
+        with:
+          ref: ${{ env.SOURCE_BRANCH }}
+
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
+      - name: Create PR from ${{ env.SOURCE_BRANCH }} to ${{ env.DEFAULT_BRANCH }}
+        env:
+          GH_TOKEN: ${{ steps.bot.outputs.token }}
+        run: |
+          gh pr create \
+            --base ${{ env.DEFAULT_BRANCH }} \
+            --head ${{ env.SOURCE_BRANCH }} \
+            --title "Release: merge ${{ env.SOURCE_BRANCH }} into ${{ env.DEFAULT_BRANCH }}" \
+            --label "[bot] release" \
+            --body "This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from \`${{ env.SOURCE_BRANCH }}\` into \`${{ env.DEFAULT_BRANCH }}\`.
+
+            ⚠️ It is labeled \`[bot] release\` and is excluded from release notes and version bump logic."
diff --git a/.github/workflows/security.yaml b/.github/workflows/security.yaml
deleted file mode 100644
index b837b879..00000000
--- a/.github/workflows/security.yaml
+++ /dev/null
@@ -1,39 +0,0 @@
-# Integrates a collection of open source static analysis tools with
-# GitHub code scanning.
-# https://github.com/github/ossar-action
-
-name: Security scans
-
-on:
-  # Trigger the workflow on pull request
-  pull_request:
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-jobs:
-  scan-security-ossar:
-    # OSSAR runs on windows-latest.
-    # ubuntu-latest and macos-latest support coming soon
-    runs-on: windows-latest
-
-    steps:
-      - name: Checkout repository
-        uses: actions/checkout@v5
-        with:
-          # We must fetch at least the immediate parents so that if this is
-          # a pull request then we can checkout the head.
-          fetch-depth: 2
-
-      # If this run was triggered by a pull request event, then checkout
-      # the head of the pull request instead of the merge commit.
-      - run: git checkout HEAD^2
-        if: ${{ github.event_name == 'pull_request' }}
-
-      - name: Run open source static analysis tools
-        uses: github/ossar-action@main
-        id: ossar
-
-      - name: Upload results to Security tab
-        uses: github/codeql-action/upload-sarif@v3
-        with:
-          sarif_file: ${{ steps.ossar.outputs.sarifFile }}
diff --git a/.github/workflows/security.yml b/.github/workflows/security.yml
new file mode 100644
index 00000000..9b34cccf
--- /dev/null
+++ b/.github/workflows/security.yml
@@ -0,0 +1,93 @@
+# Code scanning (CodeQL) for vulnerabilities and insecure coding patterns.
+#
+# What this workflow does
+# - Runs GitHub CodeQL analysis and uploads results to your repository's Security tab.
+# - Triggers on PRs (so findings appear as PR checks) and on pushes to `develop`.
+# - Runs on a weekly schedule.
+#
+# Where to find results on GitHub
+# - Repository → Security → Code scanning alerts
+#   (You can filter by tool = CodeQL and by branch.)
+#
+# Where to configure on GitHub
+# - Repository → Settings → Advanced Security
+#   Enable "GitHub Advanced Security" (if available) and configure CodeQL there.
+# - Repository → Security → Code scanning alerts
+#   This page shows findings produced by this workflow.
+#
+# Notes about the scheduled run
+# - Scheduled workflows are triggered from the repository's *default branch*.
+#   If your default branch is `master` but you want the scheduled scan to analyze
+#   `develop`, this workflow checks out `develop` explicitly for scheduled runs.
+#
+# References
+# - CodeQL Action: https://github.com/github/codeql-action
+# - Advanced setup docs: https://docs.github.com/en/code-security/code-scanning
+
+name: Security scans with CodeQL
+
+on:
+  # Run on pull requests so results show up as PR checks and code
+  # scanning alerts.
+  pull_request:
+    branches: [master, main, develop]
+
+  # Run on pushes (e.g., after merging PRs).
+  push:
+    branches: [master, main, develop]
+
+  # Run weekly. (Cron is in UTC.)
+  schedule:
+    - cron: '0 3 * * 1'
+
+permissions:
+  contents: read
+  security-events: write
+
+jobs:
+  codeql:
+    name: Code scanning
+    runs-on: ubuntu-latest
+
+    strategy:
+      fail-fast: false
+      matrix:
+        # Keep this list tight to avoid noise and speed up runs.
+        language: [python, actions]
+
+    steps:
+      # Scheduled workflows run from the default branch.
+      # We explicitly analyze `develop` on the schedule to keep the scan
+      # focused on the active dev branch.
+      - name: Checkout repository (scheduled → develop)
+        if: ${{ github.event_name == 'schedule' }}
+        uses: actions/checkout@v5
+        with:
+          ref: develop
+
+      - name: Checkout repository
+        if: ${{ github.event_name != 'schedule' }}
+        uses: actions/checkout@v5
+
+      - name: Initialize CodeQL
+        uses: github/codeql-action/init@v4
+        with:
+          languages: ${{ matrix.language }}
+
+      - name: Perform CodeQL Analysis
+        uses: github/codeql-action/analyze@v4
+
+  print-link:
+    name: Print results link
+    runs-on: ubuntu-latest
+
+    needs: codeql
+    permissions: {} # no special perms needed just to print links
+
+    steps:
+      - name: Add Code Scanning link to job summary
+        run: |
+          echo "## 🔎 CodeQL Results" >> $GITHUB_STEP_SUMMARY
+          echo "" >> $GITHUB_STEP_SUMMARY
+          echo "View Code Scanning alerts here:" >> $GITHUB_STEP_SUMMARY
+          echo "${{ github.server_url }}/${{ github.repository }}/security/code-scanning" >> $GITHUB_STEP_SUMMARY
diff --git a/.github/workflows/test-trigger.yaml b/.github/workflows/test-trigger.yml
similarity index 61%
rename from .github/workflows/test-trigger.yaml
rename to .github/workflows/test-trigger.yml
index dedfbd91..ecf6b40c 100644
--- a/.github/workflows/test-trigger.yaml
+++ b/.github/workflows/test-trigger.yml
@@ -7,6 +7,9 @@ on:
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
+permissions:
+  contents: read
+
 jobs:
   code-tests-trigger:
     runs-on: ubuntu-latest
@@ -17,14 +20,21 @@ jobs:
         with:
           ref: develop
 
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
       - name: Dispatch code tests workflow
-        uses: actions/github-script@v7
+        uses: ./.github/actions/github-script
         with:
-          github-token: ${{ secrets.GITHUB_TOKEN }}
+          github-token: ${{ steps.bot.outputs.token }}
           script: |
             await github.rest.actions.createWorkflowDispatch({
               owner: context.repo.owner,
               repo: context.repo.repo,
-              workflow_id: "test.yaml",
+              workflow_id: "test.yml",
               ref: "develop"
             });
diff --git a/.github/workflows/test.yaml b/.github/workflows/test.yaml
deleted file mode 100644
index 11b06f14..00000000
--- a/.github/workflows/test.yaml
+++ /dev/null
@@ -1,259 +0,0 @@
-# This is the main workflow for testing the code before and after
-# packaging it.
-# The workflow is divided into three jobs:
-# 1. env-prepare:
-#    - Prepare the environment for testing
-# 2. source-test:
-#    - Test the code base against the latest code in the repository
-#    - Create the Python package
-#    - Upload the Python package for the next job
-# 3. package-test:
-#    - Download the Python package (including extra files) from the previous job
-#    - Install the downloaded Python package
-#    - Test the code base against the installed package
-# 4. dashboard-build-trigger:
-#    - Trigger the dashboard build workflow to update the code quality
-#      metrics on the dashboard
-
-name: Code and package tests
-
-on:
-  # Trigger the workflow on push
-  push:
-    # Every branch
-    branches: ['**']
-    # But do not run this workflow on creating a new tag starting with
-    # 'v', e.g. 'v1.0.3' (see publish-pypi.yml)
-    tags-ignore: ['v*']
-  # Trigger the workflow on pull request
-  pull_request:
-    branches: ['**']
-  # Allows you to run this workflow manually from the Actions tab
-  workflow_dispatch:
-
-# Need permissions to trigger the dashboard build workflow
-permissions:
-  actions: write
-  contents: read
-
-# Allow only one concurrent workflow, skipping runs queued between the run
-# in-progress and latest queued. And cancel in-progress runs.
-concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
-  cancel-in-progress: true
-
-# Set the environment variables to be used in all jobs defined in this workflow
-env:
-  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-
-jobs:
-  # Job 1: Prepare environment
-  env-prepare:
-    runs-on: [ubuntu-latest]
-
-    outputs:
-      pytest-marks: ${{ steps.set-mark.outputs.pytest_marks }}
-
-    steps:
-      # Determine if integration tests should be run fully or only the fast ones
-      # (to save time on branches other than master and develop)
-      - name: Set mark for integration tests
-        id: set-mark
-        run: |
-          if [[ "${{ env.CI_BRANCH }}" == "master" || "${{ env.CI_BRANCH }}" == "develop" ]]; then
-            echo "pytest_marks=" >> $GITHUB_OUTPUT
-          else
-            echo "pytest_marks=-m fast" >> $GITHUB_OUTPUT
-          fi
-
-  # Job 2: Test code
-  source-test:
-    needs: env-prepare # depend on previous job
-
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [ubuntu-24.04, macos-14, windows-2022]
-
-    runs-on: ${{ matrix.os }}
-
-    env:
-      PIXI_ENVS: 'py311-dev py313-dev'
-
-    steps:
-      - name: Checkout repository
-        uses: actions/checkout@v5
-        with:
-          fetch-depth: '0' # full history with tags to get the version number by versioningit
-
-      - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: ${{ env.PIXI_ENVS }}
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run --environment $env dev
-            echo "PYTHONPATH:"
-            pixi run printenv PYTHONPATH || true
-            pixi run --environment $env easydiffraction --version
-          done
-
-      - name: Run unit tests
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run --environment $env unit-tests
-          done
-
-      - name:
-          Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run --environment $env integration-tests ${{ needs.env-prepare.outputs.pytest-marks }}
-          done
-
-      # Delete all local tags when not on a tagged commit to force versioningit
-      # to fall back to the configured default-tag, which is '999.0.0' in our case.
-      # This is needed for testing the package in the next job, as its version
-      # must be higher than the PyPI version for pip to prefer the local version.
-      - name: Force using versioningit default tag (non tagged release)
-        if: startsWith(github.ref , 'refs/tags/v') != true
-        run: git tag --delete $(git tag)
-
-      - name: Create Python package
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run -e $env dist-build
-            env_prefix="${env%%-*}"
-            echo "📦 Moving built wheel to dist/$env_prefix/"
-            pixi run mkdir -p dist/$env_prefix
-            pixi run mv dist/*.whl dist/$env_prefix/
-          done
-
-      - name: Remove local easydiffraction from pixi.toml
-        shell: bash
-        run: pixi remove --pypi easydiffraction
-
-      - name: Remove Python cache files before uploading
-        shell: bash
-        run: pixi run clean-pycache
-
-      # More than one file/dir need to be specified in 'path', to preserve the
-      # structure of the dist/ directory, not only its contents.
-      - name: Upload Python package for the next job
-        uses: actions/upload-artifact@v4
-        with:
-          name: edl_${{ matrix.os }}_${{ runner.arch }}
-          path: |
-            dist/
-            tests/
-            pytest.ini
-            pixi.toml
-            pixi.lock
-          if-no-files-found: 'error'
-          compression-level: 0
-
-  # Job 3: Test the package
-  package-test:
-    needs: [env-prepare, source-test] # depend on previous jobs
-
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [ubuntu-24.04, macos-14, windows-2022]
-
-    runs-on: ${{ matrix.os }}
-
-    env:
-      PIXI_ENVS: 'py311-dev py313-dev'
-
-    steps:
-      - name:
-          Download zipped Python package (incl. extra files) from previous job
-        uses: actions/download-artifact@v4
-        with: # name or path are taken from the upload step of the previous job
-          name: edl_${{ matrix.os }}_${{ runner.arch }}
-          path: . # directory to extract downloaded zipped artifacts
-
-      - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: ${{ env.PIXI_ENVS }}
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run --environment $env wheel
-          done
-
-      - name: Install easydiffraction package from the built wheel
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            env_prefix="${env%%-*}"
-            echo "📦 Looking for wheel in dist/$env_prefix/"
-            whl_path="$(find dist/${env_prefix} -name '*.whl' | head -1)"
-            echo "📦 Installing easydiffraction from: $whl_path"
-            pixi run --environment $env python -m uv pip install "${whl_path}[all]" --reinstall-package easydiffraction
-            pixi run --environment $env easydiffraction --version
-          done
-
-      - name: Run unit tests
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run --environment $env unit-tests
-          done
-
-      - name:
-          Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
-        shell: bash
-        run: |
-          for env in ${{ env.PIXI_ENVS }}; do
-            echo "🔹🔸🔹🔸🔹   Current env: $env   🔹🔸🔹🔸🔹"
-            pixi run --environment $env integration-tests ${{ needs.env-prepare.outputs.pytest-marks }}
-          done
-
-  # Job 4: Trigger dashboard build
-  dashboard-build-trigger:
-    needs: [source-test, package-test] # depend on previous jobs
-
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Check-out repository
-        uses: actions/checkout@v5
-
-      - name: Trigger dashboard build
-        uses: actions/github-script@v7
-        with:
-          github-token: ${{ secrets.GITHUB_TOKEN }}
-          script: |
-            await github.rest.actions.createWorkflowDispatch({
-              owner: context.repo.owner,
-              repo: context.repo.repo,
-              workflow_id: "dashboard.yaml",
-              ref: "${{ env.CI_BRANCH }}"
-            });
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
new file mode 100644
index 00000000..745c0b03
--- /dev/null
+++ b/.github/workflows/test.yml
@@ -0,0 +1,279 @@
+# This is the main workflow for testing the code before and after
+# packaging it.
+# The workflow is divided into three jobs:
+# 1. env-prepare:
+#    - Prepare the environment for testing
+# 2. source-test:
+#    - Test the code base against the latest code in the repository
+#    - Create the Python package
+#    - Upload the Python package for the next job
+# 3. package-test:
+#    - Download the Python package (including extra files) from the previous job
+#    - Install the downloaded Python package
+#    - Test the code base against the installed package
+# 4. dashboard-build-trigger:
+#    - Trigger the dashboard build workflow to update the code quality
+#      metrics on the dashboard
+
+name: Code and package tests
+
+on:
+  # Trigger the workflow on push
+  push:
+    branches-ignore: [master, main] # Already verified in PR
+    # But do not run this workflow on creating a new tag starting with
+    # 'v', e.g. 'v1.0.3' (see publish-pypi.yml)
+    tags-ignore: ['v*']
+  # Trigger the workflow on pull request
+  pull_request:
+    branches: ['**']
+  # Allows you to run this workflow manually from the Actions tab
+  workflow_dispatch:
+
+# Need permissions to trigger the dashboard build workflow
+permissions:
+  actions: write
+  contents: read
+
+# Allow only one concurrent workflow, skipping runs queued between the run
+# in-progress and latest queued. And cancel in-progress runs.
+concurrency:
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  cancel-in-progress: true
+
+# Set the environment variables to be used in all jobs defined in this workflow
+env:
+  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
+  PY_VERSIONS: '3.11 3.13'
+  PIXI_ENVS: 'py-311-env py-313-env'
+
+jobs:
+  # Job 1: Set up environment variables
+  env-prepare:
+    runs-on: [ubuntu-latest]
+
+    outputs:
+      pytest-marks: ${{ steps.set-mark.outputs.pytest_marks }}
+
+    steps:
+      # Determine if integration tests should be run fully or only the fast ones
+      # (to save time on branches other than master and develop)
+      - name: Set mark for integration tests
+        id: set-mark
+        run: |
+          if [[ "${{ env.CI_BRANCH }}" == "master" || "${{ env.CI_BRANCH }}" == "develop" ]]; then
+            echo "pytest_marks=" >> $GITHUB_OUTPUT
+          else
+            echo "pytest_marks=-m fast" >> $GITHUB_OUTPUT
+          fi
+
+  # Job 2: Test code
+  source-test:
+    needs: env-prepare # depend on previous job
+
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-24.04, macos-15, windows-2022]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v5
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+        with:
+          environments: ${{ env.PIXI_ENVS }}
+
+      - name: Run unit tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.11 -> py-311-env
+
+            echo "Running tests in environment: $env"
+            pixi run --environment $env unit-tests
+          done
+
+      - name: Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.11 -> py-311-env
+
+            echo "Running tests in environment: $env"
+            pixi run --environment $env integration-tests ${{ needs.env-prepare.outputs.pytest-marks }}
+          done
+
+      # Delete all local tags when not on a tagged commit to force versioningit
+      # to fall back to the configured default-tag, which is '999.0.0' in our case.
+      # This is needed for testing the package in the next job, as its version
+      # must be higher than the PyPI version for pip to prefer the local version.
+      - name: Force using versioningit default tag (non tagged release)
+        if: startsWith(github.ref , 'refs/tags/v') != true
+        run: git tag --delete $(git tag)
+
+      - name: Build package wheels for all Python versions
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            env="py-$(echo $py_ver | tr -d .)-env" # Converts 3.11 -> py-311-env
+
+            echo "Building wheel in environment: $env"
+            pixi run --environment $env dist-build
+
+            echo "Moving built wheel to dist/py$py_ver/"
+            pixi run mkdir -p dist/py$py_ver
+            pixi run mv dist/*.whl dist/py$py_ver/
+          done
+
+      - name: Remove Python cache files before uploading
+        shell: bash
+        run: pixi run clean-pycache
+
+      # More than one file/dir need to be specified in 'path', to preserve the
+      # structure of the dist/ directory, not only its contents.
+      - name: Upload package (incl. extras) for next job
+        uses: ./.github/actions/upload-artifact
+        with:
+          name: easydiffraction_${{ matrix.os }}_${{ runner.arch }}
+          path: dist/
+
+  # Job 3: Test the package
+  package-test:
+    needs: source-test # depend on previous job
+
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-24.04, macos-15, windows-2022]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v5
+
+      - name: Download package (incl. extras) from previous job
+        uses: ./.github/actions/download-artifact
+        with:
+          # name and path should be taken from the upload step of the previous job
+          name: easydiffraction_${{ matrix.os }}_${{ runner.arch }}
+          path: dist/
+
+      - name: Set up pixi
+        uses: ./.github/actions/setup-pixi
+        with:
+          environments: ''
+          activate-environment: ''
+          run-install: false
+          frozen: false
+
+      - name: Install easydiffraction from the built wheel
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Initializing pixi project"
+            pixi init easydiffraction_py$py_ver
+            cd easydiffraction_py$py_ver
+
+            echo "Setting macOS 14.0 as minimum required"
+            pixi project system-requirements add macos 14.0
+
+            echo "Adding Python $py_ver"
+            pixi add "python=$py_ver"
+
+            echo "Adding GNU Scientific Library (required by diffpy.pdffit2)"
+            pixi add gsl
+
+            # diffpy.pdffit2 wheel links @rpath/libc++.1.dylib, which must be
+            # present in the conda env lib/ dir on macOS (Python propagates its
+            # own @loader_path/../lib/ rpath to loaded extensions). Added as
+            # platform-specific deps so this is a no-op on Linux/Windows.
+            echo "Adding libc++ for macOS (required by diffpy.pdffit2)"
+            pixi add --platform osx-arm64 libcxx
+            pixi add --platform osx-64 libcxx
+
+            echo "Looking for wheel in ../dist/py$py_ver/"
+            ls -l "../dist/py$py_ver/"
+
+            whl_path=(../dist/"py$py_ver"/*.whl)
+            if [[ ! -f "${whl_path[0]}" ]]; then
+              echo "❌ No wheel found in ../dist/py$py_ver/"
+              exit 1
+            fi
+
+            whl_url="file://$(python -c 'import os,sys; print(os.path.abspath(sys.argv[1]))' "${whl_path[0]}")"
+
+            echo "Adding easydiffraction from: $whl_url"
+            pixi add --pypi "easydiffraction[dev] @ ${whl_url}"
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+      - name: Run unit tests
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Entering pixi project directory easydiffraction_py$py_ver"
+            cd easydiffraction_py$py_ver
+
+            echo "Running tests"
+            pixi run python -m pytest ../tests/unit/ --color=yes -v
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+      - name: Run integration tests ${{ needs.env-prepare.outputs.pytest-marks }}
+        shell: bash
+        run: |
+          set -euo pipefail
+
+          for py_ver in $PY_VERSIONS; do
+            echo
+            echo "🔹🔸🔹🔸🔹 Python: $py_ver 🔹🔸🔹🔸🔹"
+
+            echo "Entering pixi project directory easydiffraction_py$py_ver"
+            cd easydiffraction_py$py_ver
+
+            echo "Running tests"
+            pixi run python -m pytest ../tests/integration/ --color=yes -n auto -v ${{ needs.env-prepare.outputs.pytest-marks }}
+
+            echo "Exiting pixi project directory"
+            cd ..
+          done
+
+  # Job 4: Build and publish dashboard (reusable workflow)
+  run-reusable-workflows:
+    needs: package-test # depend on previous job
+    uses: ./.github/workflows/dashboard.yml
+    secrets: inherit
diff --git a/.github/workflows/tutorial-tests-colab.yaml b/.github/workflows/tutorial-tests-colab.yaml
index 08e2e2b6..30966aaa 100644
--- a/.github/workflows/tutorial-tests-colab.yaml
+++ b/.github/workflows/tutorial-tests-colab.yaml
@@ -7,8 +7,7 @@ on:
 # Allow only one concurrent workflow, skipping runs queued between the run in-progress and latest queued.
 # And cancel in-progress runs.
 concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
   cancel-in-progress: true
 
 jobs:
@@ -37,10 +36,10 @@ jobs:
 
       - name: Install Python dependencies
         run:
-          python -m pip install 'easydiffraction[visualization]' nbconvert
-          nbmake pytest pytest-xdist
+          python -m pip install 'easydiffraction[visualization]' nbconvert nbmake pytest
+          pytest-xdist
 
       - name: Check if Jupyter Notebooks run without errors
         run: >
-          python -m pytest --nbmake docs/tutorials/ --nbmake-timeout=600
-          --color=yes -n=auto
+          python -m pytest --nbmake docs/tutorials/ --nbmake-timeout=1200 --color=yes
+          -n=auto
diff --git a/.github/workflows/tutorial-tests-trigger.yaml b/.github/workflows/tutorial-tests-trigger.yml
similarity index 61%
rename from .github/workflows/tutorial-tests-trigger.yaml
rename to .github/workflows/tutorial-tests-trigger.yml
index ea32eef2..1bc27f4f 100644
--- a/.github/workflows/tutorial-tests-trigger.yaml
+++ b/.github/workflows/tutorial-tests-trigger.yml
@@ -7,6 +7,9 @@ on:
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
+permissions:
+  contents: read
+
 jobs:
   tutorial-tests-trigger:
     runs-on: ubuntu-latest
@@ -17,14 +20,21 @@ jobs:
         with:
           ref: develop
 
+      - name: Setup easyscience[bot]
+        id: bot
+        uses: ./.github/actions/setup-easyscience-bot
+        with:
+          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
+          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+
       - name: Dispatch tutorial tests workflow
-        uses: actions/github-script@v7
+        uses: ./.github/actions/github-script
         with:
-          github-token: ${{ secrets.GITHUB_TOKEN }}
+          github-token: ${{ steps.bot.outputs.token }}
           script: |
             await github.rest.actions.createWorkflowDispatch({
               owner: context.repo.owner,
               repo: context.repo.repo,
-              workflow_id: "tutorial-tests.yaml",
+              workflow_id: "tutorial-tests.yml",
               ref: "develop"
             });
diff --git a/.github/workflows/tutorial-tests.yaml b/.github/workflows/tutorial-tests.yml
similarity index 55%
rename from .github/workflows/tutorial-tests.yaml
rename to .github/workflows/tutorial-tests.yml
index 301b43d3..4c9244d0 100644
--- a/.github/workflows/tutorial-tests.yaml
+++ b/.github/workflows/tutorial-tests.yml
@@ -4,7 +4,7 @@ on:
   # Trigger the workflow on push
   push:
     # Selected branches
-    branches: [master, main, develop]
+    branches: [develop] # master and main are already verified in PR
   # Trigger the workflow on pull request
   pull_request:
     branches: ['**']
@@ -15,11 +15,13 @@ on:
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
+permissions:
+  contents: read
+
 # Allow only one concurrent workflow, skipping runs queued between the run
 # in-progress and latest queued. And cancel in-progress runs.
 concurrency:
-  group:
-    ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
   cancel-in-progress: true
 
 # Set the environment variables to be used in all jobs defined in this workflow
@@ -41,24 +43,13 @@ jobs:
         uses: actions/checkout@v5
 
       - name: Set up pixi
-        uses: prefix-dev/setup-pixi@v0.9.3
-        with:
-          environments: default
-          activate-environment: default
-          run-install: true
-          frozen: true
-          cache: false
-          post-cleanup: false
-
-      - name: Install and setup development dependencies
-        shell: bash
-        run: pixi run dev
+        uses: ./.github/actions/setup-pixi
 
       - name: Test tutorials as python scripts
         shell: bash
         run: pixi run script-tests
 
-      - name: Convert tutorial scripts to notebooks
+      - name: Prepare notebooks
         shell: bash
         run: pixi run notebook-prepare
 
@@ -66,24 +57,8 @@ jobs:
         shell: bash
         run: pixi run notebook-tests
 
-  # Job 2: Trigger dashboard build
-  dashboard-build-trigger:
-    needs: tutorial-tests
-
-    runs-on: ubuntu-latest
-
-    steps:
-      - name: Check-out repository
-        uses: actions/checkout@v5
-
-      - name: Trigger dashboard build
-        uses: actions/github-script@v7
-        with:
-          github-token: ${{ secrets.GITHUB_TOKEN }}
-          script: |
-            await github.rest.actions.createWorkflowDispatch({
-              owner: context.repo.owner,
-              repo: context.repo.repo,
-              workflow_id: "dashboard.yaml",
-              ref: "${{ env.CI_BRANCH }}"
-            });
+  # Job 2: Build and publish dashboard (reusable workflow)
+  run-reusable-workflows:
+    needs: tutorial-tests # depend on previous job
+    uses: ./.github/workflows/dashboard.yml
+    secrets: inherit
diff --git a/.gitignore b/.gitignore
index 2c43d2b8..6dc595c7 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,20 +1,19 @@
 # Python
-__pycache__
-.venv
+__pycache__/
+.venv/
 .coverage
 .pyc
 
-# PyTest
-.pytest_cache
-
-# MyPy
-.mypy_cache
-
 # Pixi
-.pixi
+.pixi/
 
-# Ruff
-.ruff_cache
+# PyInstaller
+dist/
+build/
+*.spec
+
+# MkDocs
+docs/site/
 
 # Jupyter Notebooks
 .ipynb_checkpoints
@@ -24,16 +23,10 @@ node_modules/
 
 # QtCreator
 *.autosave
-
-# QtCreator Qml
 *.qmlproject.user
 *.qmlproject.user.*
-
-# QtCreator Python
 *.pyproject.user
 *.pyproject.user.*
-
-# QtCreator CMake
 CMakeLists.txt.user*
 
 # PyCharm
@@ -46,3 +39,8 @@ CMakeLists.txt.user*
 .DS_Store
 *.app
 *.dmg
+
+# Misc
+.cache/
+*.log
+*.zip
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index c3d471cd..9a3855f4 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -1,57 +1,61 @@
 repos:
   - repo: local
     hooks:
-      # -----------------
-      # Pre-commit checks
-      # -----------------
+      # -------------
+      # Manual checks
+      # -------------
       - id: pixi-pyproject-check
         name: pixi run pyproject-check
         entry: pixi run pyproject-check
         language: system
         pass_filenames: false
-        stages: [pre-commit]
+        stages: [manual]
 
-      - id: pixi-py-lint-check-staged
-        name: pixi run py-lint-check-staged
-        entry: pixi run py-lint-check-pre
+      - id: license-headers-check
+        name: pixi run license-check
+        entry: pixi run license-check
         language: system
         pass_filenames: false
-        stages: [pre-commit]
+        stages: [manual]
 
-      - id: pixi-py-format-check-staged
-        name: pixi run py-format-check-staged
-        entry: pixi run py-format-check-pre
+      - id: pixi-py-lint-check
+        name: pixi run py-lint-check
+        entry: pixi run py-lint-check
         language: system
         pass_filenames: false
-        stages: [pre-commit]
+        stages: [manual]
 
-      - id: pixi-nonpy-format-check-modified
-        name: pixi run nonpy-format-check-modified
-        entry: pixi run nonpy-format-check-modified
+      - id: pixi-py-format-check
+        name: pixi run py-format-check
+        entry: pixi run py-format-check
         language: system
         pass_filenames: false
-        stages: [pre-commit]
+        stages: [manual]
 
-      - id: pixi-docs-format-check
-        name: pixi run docs-format-check
-        entry: pixi run docs-format-check
+      - id: pixi-docstring-lint-check
+        name: pixi run docstring-lint-check
+        entry: pixi run docstring-lint-check
         language: system
         pass_filenames: false
-        stages: [pre-commit]
+        stages: [manual]
 
-      # ----------------
-      # Pre-push checks
-      # ----------------
       - id: pixi-nonpy-format-check
         name: pixi run nonpy-format-check
         entry: pixi run nonpy-format-check
         language: system
         pass_filenames: false
-        stages: [pre-push]
+        stages: [manual]
+
+      - id: pixi-notebook-lint-check
+        name: pixi run notebook-lint-check
+        entry: pixi run notebook-lint-check
+        language: system
+        pass_filenames: false
+        stages: [manual]
 
       - id: pixi-unit-tests
         name: pixi run unit-tests
         entry: pixi run unit-tests
         language: system
         pass_filenames: false
-        stages: [pre-push]
+        stages: [manual]
diff --git a/.prettierignore b/.prettierignore
index 4bd61611..a08c3c48 100644
--- a/.prettierignore
+++ b/.prettierignore
@@ -1,6 +1,32 @@
+# Git
+.git/
+
+# Copier
+.copier-answers*.yml
+
 # Pixi
 .pixi
 pixi.lock
 
+# MkDocs
+docs/overrides/
+docs/site/
+docs/docs/assets/
+
+# Python
+.pytest_cache/
+
 # MyPy
-.mypy_cache
+.mypy_cache/
+
+# Ruff
+.ruff_cache/
+
+# Node
+node_modules
+
+# Misc
+.benchmarks
+.cache
+deps/
+tmp/
diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md
index f05c041f..e8dc420f 100644
--- a/CONTRIBUTING.md
+++ b/CONTRIBUTING.md
@@ -1,94 +1,446 @@
-# Contributing
+# Contributing to EasyDiffraction
 
-When contributing, please first discuss the change you wish to make via issue,
-email, or any other method with the owners of this repository before making a
-change.
+Thank you for your interest in contributing to **EasyDiffraction**!
 
-Please note we have a code of conduct, please follow it in all your interactions
-with the project.
+This guide explains how you can:
 
-## Pull Request Process
+- Report issues
+- Contribute code
+- Improve documentation
+- Suggest enhancements
+- Interact with the EasyScience community
 
-1. Ensure any install or build dependencies are removed before the end of the
-   layer when doing a build.
-2. Update the README.md with details of changes to the interface, this includes
-   new environment variables, exposed ports, useful file locations and container
-   parameters.
-3. Increase the version numbers in any example files and the README.md to the
-   new version that this Pull Request would represent. The versioning scheme we
-   use is [SemVer](http://semver.org/).
-4. You may merge the Pull Request in once you have the sign-off of two other
-   developers, or if you do not have permission to do that, you may request the
-   second reviewer to merge it for you.
+Whether you are an experienced developer or contributing for the first
+time, this document walks you through the entire process step by step.
 
-## Code of Conduct
+Please make sure you follow the EasyScience organization-wide
+[Code of Conduct](https://github.com/easyscience/.github/blob/master/CODE_OF_CONDUCT.md).
 
-### Our Pledge
+---
 
-In the interest of fostering an open and welcoming environment, we as
-contributors and maintainers pledge to make participation in our project and our
-community a harassment-free experience for everyone, regardless of age, body
-size, disability, ethnicity, gender identity and expression, level of
-experience, nationality, personal appearance, race, religion, or sexual identity
-and orientation.
+## Table of Contents
 
-### Our Standards
+- [How to Interact With This Project](#how-to-interact-with-this-project)
+- [1. Understanding the Development Model](#1-understanding-the-development-model)
+- [2. Getting the Code](#2-getting-the-code)
+- [3. Setting Up the Development Environment](#3-setting-up-the-development-environment)
+- [4. Creating a Branch](#4-creating-a-branch)
+- [5. Implementing Your Changes](#5-implementing-your-changes)
+- [6. Code Quality Checks](#6-code-quality-checks)
+- [7. Opening a Pull Request](#7-opening-a-pull-request)
+- [8. Continuous Integration (CI)](#8-continuous-integration-ci)
+- [9. Code Review](#9-code-review)
+- [10. Documentation Contributions](#10-documentation-contributions)
+- [11. Reporting Issues](#11-reporting-issues)
+- [12. Security Issues](#12-security-issues)
+- [13. Releases](#13-releases)
 
-Examples of behavior that contributes to creating a positive environment
-include:
+---
 
-- Being respectful of differing viewpoints and experiences
-- Gracefully accepting constructive criticism
-- Focusing on what is best for the community
+## How to Interact With This Project
 
-Examples of unacceptable behavior by participants include:
+If you are not planning to contribute code, you may want to:
 
-- Trolling, insulting/derogatory comments, and personal or political attacks
-- Public or private harassment
-- Publishing others' private information, such as a physical or electronic
-  address, without explicit permission
-- Other conduct which could reasonably be considered inappropriate in a
-  professional setting
+- 🐞 Report a bug — see [Reporting Issues](#11-reporting-issues)
+- 🛡 Report a security issue — see
+  [Security Issues](#12-security-issues)
+- 💬 Ask a question or start a discussion at
+  [Project Discussions](https://github.com/easyscience/diffraction-lib/discussions)
 
-### Our Responsibilities
+If you plan to contribute code or documentation, continue below.
 
-Project maintainers are responsible for clarifying the standards of acceptable
-behavior and are expected to take appropriate and fair corrective action in
-response to any instances of unacceptable behavior.
+---
 
-Project maintainers have the right and responsibility to remove, edit, or reject
-comments, commits, code, wiki edits, issues, and other contributions that are
-not aligned to this Code of Conduct, or to ban temporarily or permanently any
-contributor for other behaviors that they deem inappropriate, threatening,
-offensive, or harmful.
+## 1. Understanding the Development Model
 
-### Scope
+Before you start coding, it is important to understand how development
+works in this project.
 
-This Code of Conduct applies both within project spaces and in public spaces
-when an individual is representing the project or its community. Examples of
-representing a project or community include using an official project e-mail
-address, posting via an official social media account, or acting as an appointed
-representative at an online or offline event. Representation of a project may be
-further defined and clarified by project maintainers.
+### Branching Strategy
 
-### Enforcement
+We use the following branches:
 
-Instances of abusive, harassing, or otherwise unacceptable behavior may be
-reported by contacting the project team at suport@easydiffraction.org. All
-complaints will be reviewed and investigated and will result in a response that
-is deemed necessary and appropriate to the circumstances. The project team is
-obligated to maintain confidentiality with regard to the reporter of an
-incident. Further details of specific enforcement policies may be posted
-separately.
+- `master` — stable releases only
+- `develop` — active development branch
+- Short-lived branches — feature or fix branches created for a single
+  contribution and deleted after merge
 
-Project maintainers who do not follow or enforce the Code of Conduct in good
-faith may face temporary or permanent repercussions as determined by other
-members of the project's leadership.
+> [!IMPORTANT]
+>
+> All normal contributions must target the `develop` branch.
+>
+> - Do **not** open Pull Requests against `master`
+> - Always create your branch from `develop`
+> - Always target `develop` when opening a Pull Request
 
-### Attribution
+See ADR easyscience/.github#12 for more details on the branching
+strategy.
 
-This Code of Conduct is adapted from the [Contributor Covenant][homepage],
-version 1.4, available at [http://contributor-covenant.org/version/1/4][version]
+---
 
-[homepage]: http://contributor-covenant.org
-[version]: http://contributor-covenant.org/version/1/4/
+## 2. Getting the Code
+
+### 2.1. If You Are an External Contributor
+
+If you are not a core maintainer of this repository, follow these steps.
+
+1. Open the repository page:
+   `https://github.com/easyscience/diffraction-lib`
+
+2. Click the **Fork** button (top-right corner). This creates your own
+   copy of the repository.
+
+3. Clone your fork locally:
+
+   ```bash
+   git clone https://github.com/<your-username>/diffraction-lib.git
+   cd diffraction-lib
+   ```
+
+4. Add the original repository as `upstream`:
+
+   ```bash
+   git remote add upstream https://github.com/easyscience/diffraction-lib.git
+   ```
+
+5. Switch to the `develop` branch and update it:
+
+   ```bash
+   git fetch upstream
+   git checkout develop
+   git pull upstream develop
+   ```
+
+If you have contributed before, make sure your local `develop` branch is
+up to date before starting new work. You can update it with:
+
+```bash
+git fetch upstream
+git pull upstream develop
+```
+
+This ensures you are working on the latest version of the project.
+
+### 2.2. If You Are a Core Team Member
+
+Core team members can create branches directly in this repository and
+therefore do not need to fork it, but the rest of the workflow remains
+the same.
+
+---
+
+## 3. Setting Up the Development Environment
+
+You need:
+
+- Git
+- Pixi
+
+EasyScience projects use **Pixi** to manage the development environment.
+
+To install Pixi, follow the official instructions:
+https://pixi.prefix.dev/latest/installation/
+
+You do **not** need to manually install Python. Pixi automatically:
+
+- Creates the correct Python environment
+- Installs all required dependencies
+- Installs development tools (linters, formatters, test tools)
+
+Set up the environment:
+
+```bash
+pixi install
+pixi run post-install  # Install additional tooling
+```
+
+After this step, your development environment is ready.
+
+See ADR easyscience/.github#63 for more details about using Pixi for
+development.
+
+---
+
+## 4. Creating a Branch
+
+Never work directly on `develop`.
+
+Create a new branch:
+
+```bash
+git checkout -b my-change develop
+```
+
+> [!IMPORTANT]
+>
+> Use a clear and descriptive name, for example:
+>
+> - `improve-solver-speed`
+> - `fix-boundary-condition`
+> - `add-tutorial-example`
+
+Clear branch names make reviews and history easier to understand.
+
+---
+
+## 5. Implementing Your Changes
+
+While developing, make small, logical commits with clear messages.
+
+Example:
+
+```bash
+git add .
+git commit -m "Improve performance of time integrator for large systems"
+```
+
+---
+
+## 6. Code Quality Checks
+
+> [!IMPORTANT]
+>
+> When adding new functionality or making changes, make sure to add or
+> update the following as needed:
+>
+> - 📘 docstrings
+> - 🧪 unit tests
+
+Before opening a Pull Request, always run:
+
+```bash
+pixi run check
+```
+
+This command:
+
+- Validates the pyproject.toml file
+- Checks for licence headers in code files
+- Identifies linting and formatting issues in Python code
+- Checks docstring linting and formatting issues in Python code
+- Detects formatting issues in non-Python files (MD, YAML, TOML etc.)
+- Checks linting issues in Jupyter notebooks (if applicable)
+- Runs unit tests
+
+A successful run should look like this:
+
+```bash
+pixi run pyproject-check.......................Passed
+pixi run license-check.........................Passed
+pixi run py-lint-check.........................Passed
+pixi run py-format-check.......................Passed
+pixi run docstring-lint-check..................Passed
+pixi run nonpy-format-check....................Passed
+pixi run notebook-lint-check...................Passed
+pixi run unit-tests............................Passed
+```
+
+If something fails, read the error message carefully and fix the issue.
+
+You can run individual checks, for example, to run only unit tests:
+
+```bash
+pixi run unit-tests
+```
+
+or to run only Python linting checks:
+
+```bash
+pixi run py-lint-check
+```
+
+Some formatting issues can be fixed automatically:
+
+```bash
+pixi run fix
+```
+
+If everything is correctly formatted, you will see:
+
+```text
+✅ All auto-formatting steps completed successfully!
+```
+
+This indicates that the auto-formatting pipeline completed successfully.
+If you do not see this message and no error messages appear, try running
+the command again.
+
+If errors are reported, resolve them and re-run:
+
+```bash
+pixi run check
+```
+
+> [!IMPORTANT]
+>
+> All checks must pass before your Pull Request can be merged.
+
+If you are unsure how to fix an issue, ask for help in your Pull Request
+discussion.
+
+---
+
+## 7. Opening a Pull Request
+
+Push your branch:
+
+```bash
+git push origin my-change
+```
+
+On GitHub:
+
+- Click **Compare & Pull Request**
+- Ensure the base branch is `develop`
+- Write a clear and concise title
+- Add a description explaining what changed and why
+- Add the required `[scope]` label
+
+### Pull Request Title
+
+> [!IMPORTANT]
+>
+> The PR title appears in release notes and changelogs. It should be
+> concise and informative.
+
+Good examples:
+
+- Improve performance of time integrator for large systems
+- Fix incorrect boundary condition handling in solver
+- Add adaptive step-size control to ODE solver
+- Add tutorial for custom model configuration
+- Refactor solver API for improved readability
+
+### Required `[scope]` Label
+
+> [!IMPORTANT]
+>
+> Each Pull Request must include a `[scope]` label, which is used for
+> automatically suggesting version bumps when preparing a new release.
+
+The available scopes are:
+
+| Label                   | Description                                                             |
+| ----------------------- | ----------------------------------------------------------------------- |
+| `[scope] bug`           | Bug report or fix (major.minor.**PATCH**)                               |
+| `[scope] documentation` | Documentation-only changes (major.minor.patch.**POST**)                 |
+| `[scope] enhancement`   | Adds or improves features (major.**MINOR**.patch)                       |
+| `[scope] maintenance`   | Code/tooling cleanup without feature or bug fix (major.minor.**PATCH**) |
+| `[scope] significant`   | Breaking or major changes (**MAJOR**.minor.patch)                       |
+
+See ADR easyscience/.github#33 for more details on the standardized
+labeling scheme.
+
+---
+
+## 8. Continuous Integration (CI)
+
+After opening a Pull Request:
+
+- Automated checks run automatically
+- You will see green checkmarks or red crosses
+
+If checks fail:
+
+1. Open the failing check
+2. Read the logs
+3. Fix the issue locally
+4. Run `pixi run check`
+5. Push your changes
+
+The Pull Request updates automatically.
+
+---
+
+## 9. Code Review
+
+All Pull Requests are reviewed by at least one core team member.
+
+Code review is collaborative and aims to improve quality.
+
+Do not take comments personally — they are meant to help.
+
+To update your PR:
+
+```bash
+git add .
+git commit -m "Address review comments"
+git push
+```
+
+---
+
+## 10. Documentation Contributions
+
+> [!IMPORTANT]
+>
+> If your change affects user-facing functionality, update the project
+> documentation accordingly — specifically the `nav:` (navigation)
+> structure in `mkdocs.yml` and the relevant documentation Markdown
+> files in `docs/docs/`.
+>
+> ```text
+> 📁 docs
+> ├── 📁 docs        - Markdown files for documentation
+> │   └── ...
+> └── 📄 mkdocs.yml  - Configuration file (navigation, theme, etc.)
+> ```
+
+This may include:
+
+- API documentation
+- Examples
+- Tutorials
+- Jupyter notebooks
+
+Preview documentation locally:
+
+```bash
+pixi run docs-serve
+```
+
+Open the URL shown in the terminal to review your changes.
+
+---
+
+## 11. Reporting Issues
+
+If you find a bug but cannot work on a fix, please consider opening an
+issue.
+
+When reporting an issue, it helps to:
+
+- Search existing issues first.
+- Provide clear reproduction steps.
+- Include logs, screenshots, and environment details.
+
+Clear and detailed reports help maintainers investigate and resolve
+issues more effectively.
+
+---
+
+## 12. Security Issues
+
+> [!IMPORTANT]
+>
+> Please do **not** report security vulnerabilities publicly.
+
+If you discover a potential vulnerability, please contact the
+maintainers privately so the issue can be investigated and addressed
+responsibly.
+
+---
+
+## 13. Releases
+
+Once your contribution is merged into `develop`, it will eventually be
+included in the next stable release.
+
+When enough changes have accumulated in `develop`, core team members
+merge `develop` into `master` to prepare a new release. The release is
+then tagged and published on GitHub and PyPI.
+
+---
+
+Thank you for contributing to EasyDiffraction and the EasyScience
+ecosystem!
diff --git a/DEVELOPMENT.md b/DEVELOPMENT.md
deleted file mode 100644
index 2acffeb3..00000000
--- a/DEVELOPMENT.md
+++ /dev/null
@@ -1,150 +0,0 @@
-# Development
-
-This is an example of a workflow that describes the development process.
-
-## Installation and setup with Pixi
-
-- Install Pixi by following the instructions on the
-  [official Pixi Installation Guide](https://pixi.sh/latest/installation).
-- Clone repositories with assets for building documentation
-  ```bash
-  git clone https://github.com/easyscience/assets-docs.git
-  git clone https://github.com/easyscience/assets-branding.git
-  ```
-- Clone EasyDiffraction library repository
-  ```bash
-  git clone https://github.com/easyscience/diffraction-lib
-  ```
-- Go to the cloned directory
-  ```bash
-  cd diffraction-lib
-  ```
-- Create the environment defined in `pixi.toml` and install all necessary
-  dependencies:
-  ```bash
-  pixi install
-  ```
-- Install and setup development dependencies
-  ```bash
-  pixi run dev
-  ```
-
-## Making changes
-
-- Checkout/switch to the `develop` branch
-  ```bash
-  git checkout develop
-  ```
-- Create a new branch from the `develop` one
-  ```bash
-  git checkout -b new-feature
-  ```
-- Make changes in the code
-  ```bash
-  ...
-  ```
-
-## Checking code quality and testing
-
-### Pre-commit checks
-
-- Check code quality (configuration is in `pyproject.toml` and
-  `prettierrc.toml`)
-  ```bash
-  pixi run pre-commit-check
-  ```
-- Fix some code quality issues automatically
-  ```bash
-  pixi run pre-commit-fix
-  ```
-
-### Pre-push checks
-
-- Run tests and checks before pushing changes
-  ```bash
-  pixi run pre-push
-  ```
-
-### Individual tests and checks (if needed)
-
-- Check coverage by tests and docstrings
-  ```bash
-  pixi run cov
-  ```
-- Run unit tests
-  ```bash
-  pixi run unit-tests
-  ```
-- Run integration tests
-  ```bash
-  pixi run integration-tests
-  ```
-- Test tutorials as python scripts
-  ```bash
-  pixi run script-tests
-  ```
-- Convert tutorial scripts to notebooks
-  ```bash
-  pixi run notebook-prepare
-  ```
-- Test tutorials as notebooks
-  ```bash
-  pixi run notebook-tests
-  ```
-
-## Building and checking documentation with MkDocs
-
-- Move notebooks to docs/tutorials
-  ```bash
-  pixi run docs-notebooks
-  ```
-- Add extra files to build documentation (from `../assets-docs/` and
-  `../assets-branding/` directories)
-  ```bash
-  pixi run docs-assets
-  ```
-- Create mkdocs.yml file
-  ```bash
-  pixi run docs-config
-  ```
-- Build documentation
-  ```bash
-  pixi run docs-build
-  ```
-- Test the documentation locally (built in the `site/` directory). E.g., on
-  macOS, open the site in the default browser via the terminal
-  ```bash
-  open http://127.0.0.1:8000
-  ```
-- Clean up after checking documentation
-  ```bash
-  pixi run docs-clean
-  ```
-
-## Committing and pushing changes
-
-- Commit changes
-  ```bash
-  git add .
-  git commit -m "Add new feature"
-  ```
-- Push the new branch to a remote repository
-  ```bash
-  git push -u origin new-feature
-  ```
-- Create a pull request on
-  [EasyScience GitHub repository](https://github.com/easyscience/diffraction-lib/pulls)
-  and request a review from team members
-- Add one of the required labels:
-  - `[maintainer] auto-pull-request`
-  - `[scope] bug`
-  - `[scope] documentation`
-  - `[scope] enhancement`
-  - `[scope] maintenance`
-  - `[scope] significant`
-- After approval, merge the pull request into the `develop` branch using "Squash
-  and merge" option
-- Delete the branch remotely
-  ```bash
-  git push origin --delete new-feature
-  ```
diff --git a/LICENSE b/LICENSE
index 4debe9f4..c4e3e48e 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,6 +1,6 @@
 BSD 3-Clause License
 
-Copyright (c) 2021-2025 EasyDiffraction Python Library contributors <https://github.com/easyscience/diffraction-lib>
+Copyright (c) 2021-2026 EasyScience contributors.
 
 Redistribution and use in source and binary forms, with or without
 modification, are permitted provided that the following conditions are met:
diff --git a/README.md b/README.md
index 6278d78f..a9fccc67 100644
--- a/README.md
+++ b/README.md
@@ -9,45 +9,45 @@
   </picture>
 </p>
 
-**EasyDiffraction** is a Python package for calculating neutron powder
-diffraction patterns based on a structural model and refining its parameters
-against experimental data.
+**EasyDiffraction** is a software for calculating neutron powder
+diffraction patterns based on a structural model and refining its
+parameters against experimental data.
 
-**EasyDiffraction** is built upon the [EasyScience] framework, which provides
-essential tools for developing scientific libraries and applications.
+<!-- HOME REPOSITORY SECTION -->
 
-## Useful Links
-
-- [Main Website] - Learn more about EasyDiffraction.
-- [Documentation] - Access the full documentation.
-- [Discussions] - Ask questions or share ideas.
-- [Issue Tracker] - Report bugs or request new features.
-- [Source Code] - Explore the source code repository.
-
-## Contributing
+**EasyDiffraction** is developed both as a Python library and as a
+cross-platform desktop application.
 
-We welcome contributions! Our vision is for **EasyDiffraction** to be a
-community-driven, open-source project supported by a diverse group of
-contributors.
+Here, we focus on the Python library. For the graphical user interface
+(GUI), please see the corresponding
+[GUI resources](https://github.com/easyscience/diffraction-app).
 
-The project is currently maintained by the [European Spallation Source (ESS)].
+License:
+[BSD 3-Clause](https://github.com/easyscience/diffraction-lib/blob/master/LICENSE)
 
-If you'd like to contribute, please refer to our [Contributing Guidelines] for
-information about our code of conduct and instructions on submitting pull
-requests.
-
-## License
-
-**EasyDiffraction** is licensed under the [BSD 3-Clause License].
+## Useful Links
 
-<!-- prettier-ignore-start -->
-[BSD 3-Clause License]: https://github.com/easyscience/diffraction-lib/blob/master/LICENSE
-[Contributing Guidelines]: https://github.com/easyscience/diffraction-lib/blob/master/CONTRIBUTING.md
-[EasyScience]: https://easyscience.software
-[European Spallation Source (ESS)]: https://ess.eu
-[Main Website]: https://easydiffraction.org
-[Documentation]: https://docs.easydiffraction.org/lib
-[Discussions]: https://github.com/easyscience/diffraction-lib/discussions
-[Issue Tracker]: https://github.com/easyscience/diffraction-lib/issues
-[Source Code]: https://github.com/easyscience/diffraction-lib
-<!-- prettier-ignore-end -->
+### For Users
+
+- 📖
+  [Documentation](https://easyscience.github.io/diffraction-lib/latest)
+- 🚀
+  [Getting Started](https://easyscience.github.io/diffraction-lib/latest/introduction)
+- 🧪
+  [Tutorials](https://easyscience.github.io/diffraction-lib/latest/tutorials)
+- 💬
+  [Get in Touch](https://easyscience.github.io/diffraction-lib/latest/introduction/#get-in-touch)
+- 🧾
+  [Citation](https://easyscience.github.io/diffraction-lib/latest/introduction/#citation)
+
+### For Contributors
+
+- 🧑‍💻 [Source Code](https://github.com/easyscience/diffraction-lib)
+- 🐞
+  [Issue Tracker](https://github.com/easyscience/diffraction-lib/issues)
+- 💡
+  [Discussions](https://github.com/easyscience/diffraction-lib/discussions)
+- 🤝
+  [Contributing Guide](https://github.com/easyscience/diffraction-lib/blob/master/CONTRIBUTING.md)
+- 🛡
+  [Code of Conduct](https://github.com/easyscience/.github/blob/master/CODE_OF_CONDUCT.md)
diff --git a/codecov.yml b/codecov.yml
index ffe29da9..f62b13ab 100644
--- a/codecov.yml
+++ b/codecov.yml
@@ -11,8 +11,3 @@ coverage:
       default:
         # Require patch coverage but with threshold
         threshold: 1%
-
-ignore:
-  # Vendored third-party code - not our code to test
-  - 'src/easydiffraction/utils/_vendored/**'
-  - 'src/easydiffraction/utils/_vendored/jupyter_dark_detect/**'
diff --git a/docs/api-reference/experiments.md b/docs/api-reference/experiments.md
deleted file mode 100644
index 2eb1bd91..00000000
--- a/docs/api-reference/experiments.md
+++ /dev/null
@@ -1 +0,0 @@
-::: easydiffraction.experiments
diff --git a/docs/api-reference/sample_models.md b/docs/api-reference/sample_models.md
deleted file mode 100644
index 43c54901..00000000
--- a/docs/api-reference/sample_models.md
+++ /dev/null
@@ -1 +0,0 @@
-::: easydiffraction.sample_models
diff --git a/docs/architecture/architecture.md b/docs/architecture/architecture.md
new file mode 100644
index 00000000..3067e6a6
--- /dev/null
+++ b/docs/architecture/architecture.md
@@ -0,0 +1,1178 @@
+# EasyDiffraction Architecture
+
+**Version:** 1.0  
+**Date:** 2026-03-24  
+**Status:** Living document — updated as the project evolves
+
+---
+
+## 1. Overview
+
+EasyDiffraction is a Python library for crystallographic diffraction
+analysis (Rietveld refinement, pair-distribution-function fitting,
+etc.). It models the domain using **CIF-inspired abstractions** —
+datablocks, categories, and parameters — while providing a high-level,
+user-friendly API through a single `Project` façade.
+
+### 1.1 Supported Experiment Dimensions
+
+Every experiment is fully described by four orthogonal axes:
+
+| Axis            | Options                             | Enum                 |
+| --------------- | ----------------------------------- | -------------------- |
+| Sample form     | powder, single crystal              | `SampleFormEnum`     |
+| Scattering type | Bragg, total (PDF)                  | `ScatteringTypeEnum` |
+| Beam mode       | constant wavelength, time-of-flight | `BeamModeEnum`       |
+| Radiation probe | neutron, X-ray                      | `RadiationProbeEnum` |
+
+> **Planned extensions:** 1D / 2D data dimensionality, polarised /
+> unpolarised neutron beam.
+
+### 1.2 Calculation Engines
+
+External libraries perform the heavy computation:
+
+| Engine    | Scope             |
+| --------- | ----------------- |
+| `cryspy`  | Bragg diffraction |
+| `crysfml` | Bragg diffraction |
+| `pdffit2` | Total scattering  |
+
+---
+
+## 2. Core Abstractions
+
+All core types live in `core/` which contains **only** base classes and
+utilities — no domain logic.
+
+### 2.1 Object Hierarchy
+
+```shell
+GuardedBase                            # Controlled attribute access, parent linkage, identity
+├── CategoryItem                       # Single CIF category row  (e.g. Cell, Peak, Instrument)
+├── CollectionBase                     # Ordered name→item container
+│   ├── CategoryCollection             # CIF loop  (e.g. AtomSites, Background, Data)
+│   └── DatablockCollection            # Top-level container  (e.g. Structures, Experiments)
+└── DatablockItem                      # CIF data block  (e.g. Structure, Experiment)
+```
+
+`CollectionBase` provides a unified dict-like API over an ordered item
+list with name-based indexing. All key operations — `__getitem__`,
+`__setitem__`, `__delitem__`, `__contains__`, `remove()` — resolve keys
+through a single `_key_for(item)` method that returns
+`category_entry_name` for category items or `datablock_entry_name` for
+datablock items. Subclasses `CategoryCollection` and
+`DatablockCollection` inherit this consistently.
+
+### 2.2 GuardedBase — Controlled Attribute Access
+
+`GuardedBase` is the root ABC. It enforces that only **declared
+`@property` attributes** are accessible publicly:
+
+- **`__getattr__`** rejects any attribute not declared as a `@property`
+  on the class hierarchy. Shows diagnostics with closest-match
+  suggestions on typos.
+- **`__setattr__`** distinguishes:
+  - **Private** (`_`-prefixed) — always allowed, no diagnostics.
+  - **Read-only public** (property without setter) — blocked with a
+    clear error.
+  - **Writable public** (property with setter) — goes through the
+    property setter, which is where validation happens.
+  - **Unknown** — blocked with diagnostics showing allowed writable
+    attrs.
+- **Parent linkage** — when a `GuardedBase` child is assigned to
+  another, the child's `_parent` is set automatically, forming an
+  implicit ownership tree.
+- **Identity** — every instance gets an `_identity: Identity` object for
+  lazy CIF-style name resolution (`datablock_entry_name`,
+  `category_code`, `category_entry_name`) by walking the `_parent`
+  chain.
+
+**Key design rule:** if a parameter has a public setter, it is writable
+for the user. If only a getter — it is read-only. If internal code needs
+to set it, a private method (underscore prefix) is used. See § 2.2.1
+below for the full pattern.
+
+#### 2.2.1 Public Property Convention — Editable vs Read-Only
+
+Every public parameter or descriptor exposed on a `GuardedBase` subclass
+follows one of two patterns:
+
+| Kind          | Getter | Setter | Internal mutation                  |
+| ------------- | ------ | ------ | ---------------------------------- |
+| **Editable**  | yes    | yes    | Via the public setter              |
+| **Read-only** | yes    | no     | Via a private `_set_<name>` method |
+
+**Editable property** — the user can both read and write the value. The
+setter runs through `GuardedBase.__setattr__` and into the property
+setter, where validation happens:
+
+```python
+@property
+def name(self) -> str:
+    """Human-readable name of the experiment."""
+    return self._name
+
+
+@name.setter
+def name(self, new: str) -> None:
+    self._name = new
+```
+
+**Read-only property** — the user can read but cannot assign. Any
+attempt to set the attribute is blocked by `GuardedBase.__setattr__`
+with a clear error message. If _internal_ code (factory builders, CIF
+loaders, etc.) needs to set the value, it calls a private `_set_<name>`
+method instead of exposing a public setter:
+
+```python
+@property
+def sample_form(self) -> StringDescriptor:
+    """Sample form descriptor (read-only for the user)."""
+    return self._sample_form
+
+
+def _set_sample_form(self, value: str) -> None:
+    """Internal setter used by factory/CIF code during construction."""
+    self._sample_form.value = value
+```
+
+**Why this matters:**
+
+- `GuardedBase.__setattr__` uses the presence of a setter to decide
+  writability. Adding a setter "just for internal use" would open the
+  attribute to users.
+- Private `_set_<name>` methods keep the public API surface minimal and
+  intention-clear, while remaining greppable and type-safe.
+- The pattern avoids string-based dispatch — every mutator has an
+  explicit named method.
+
+### 2.3 CategoryItem and CategoryCollection
+
+| Aspect          | `CategoryItem`                     | `CategoryCollection`                      |
+| --------------- | ---------------------------------- | ----------------------------------------- |
+| CIF analogy     | Single category row                | Loop (table) of rows                      |
+| Examples        | Cell, SpaceGroup, Instrument, Peak | AtomSites, Background, Data, LinkedPhases |
+| Parameters      | All `GenericDescriptorBase` attrs  | Aggregated from all child items           |
+| Serialisation   | `as_cif` / `from_cif`              | `as_cif` / `from_cif`                     |
+| Update hook     | `_update(called_by_minimizer=)`    | `_update(called_by_minimizer=)`           |
+| Update priority | `_update_priority` (default 10)    | `_update_priority` (default 10)           |
+| Display         | `show()` on concrete subclasses    | `show()` on concrete subclasses           |
+| Building items  | N/A                                | `add(item)`, `create(**kwargs)`           |
+
+**Update priority:** lower values run first. This ensures correct
+execution order within a datablock (e.g. background before data).
+
+### 2.4 DatablockItem and DatablockCollection
+
+| Aspect             | `DatablockItem`                             | `DatablockCollection`          |
+| ------------------ | ------------------------------------------- | ------------------------------ |
+| CIF analogy        | A single `data_` block                      | Collection of data blocks      |
+| Examples           | Structure, BraggPdExperiment                | Structures, Experiments        |
+| Category discovery | Scans `vars(self)` for categories           | N/A                            |
+| Update cascade     | `_update_categories()` — sorted by priority | N/A                            |
+| Parameters         | Aggregated from all categories              | Aggregated from all datablocks |
+| Fittable params    | N/A                                         | Non-constrained `Parameter`s   |
+| Free params        | N/A                                         | Fittable + `free == True`      |
+| Dirty flag         | `_need_categories_update`                   | N/A                            |
+
+When any `Parameter.value` is set, it propagates
+`_need_categories_update = True` up to the owning `DatablockItem`.
+Serialisation (`as_cif`) and plotting trigger `_update_categories()` if
+the flag is set.
+
+### 2.5 Variable System — Parameters and Descriptors
+
+```shell
+GuardedBase
+└── GenericDescriptorBase               # name, value (validated via AttributeSpec), description
+    ├── GenericStringDescriptor         # _value_type = DataTypes.STRING
+    └── GenericNumericDescriptor        # _value_type = DataTypes.NUMERIC, + units
+        └── GenericParameter            # + free, uncertainty, fit_min, fit_max, constrained, uid
+```
+
+CIF-bound concrete classes add a `CifHandler` for serialisation:
+
+| Class               | Base                       | Use case                     |
+| ------------------- | -------------------------- | ---------------------------- |
+| `StringDescriptor`  | `GenericStringDescriptor`  | Read-only or writable text   |
+| `NumericDescriptor` | `GenericNumericDescriptor` | Read-only or writable number |
+| `Parameter`         | `GenericParameter`         | Fittable numeric value       |
+
+**Initialisation rule:** all Parameters/Descriptors are initialised with
+their default values from `value_spec` (an `AttributeSpec`) **without
+any validation** — we trust internal definitions. Changes go through
+public property setters, which run both type and value validation.
+
+**Mixin safety:** Parameter/Descriptor classes must not have init
+arguments so they can be used as mixins safely (e.g.
+`PdTofDataPointMixin`).
+
+### 2.6 Validation
+
+`AttributeSpec` bundles `default`, `data_type`, `validator`,
+`allow_none`. Validators include:
+
+| Validator             | Purpose                                |
+| --------------------- | -------------------------------------- |
+| `TypeValidator`       | Checks Python type against `DataTypes` |
+| `RangeValidator`      | `ge`, `le`, `gt`, `lt` bounds checking |
+| `MembershipValidator` | Value must be in an allowed set        |
+| `RegexValidator`      | Value must match a pattern             |
+
+---
+
+## 3. Experiment System
+
+### 3.1 Experiment Type
+
+An experiment's type is defined by the four enum axes and is **immutable
+after creation**. This avoids the complexity of transforming all
+internal state when the experiment type changes. The type is stored in
+an `ExperimentType` category with four `StringDescriptor`s validated by
+`MembershipValidator`s. Public properties are read-only; factory and
+CIF-loading code use private setters (`_set_sample_form`,
+`_set_beam_mode`, `_set_radiation_probe`, `_set_scattering_type`) during
+construction only.
+
+### 3.2 Experiment Hierarchy
+
+```shell
+DatablockItem
+└── ExperimentBase                   # name, type: ExperimentType, as_cif
+    ├── PdExperimentBase             # + linked_phases, excluded_regions, peak, data
+    │   ├── BraggPdExperiment        # + instrument, background (both via factories)
+    │   └── TotalPdExperiment        # (no extra categories yet)
+    └── ScExperimentBase             # + linked_crystal, extinction, instrument, data
+        ├── CwlScExperiment
+        └── TofScExperiment
+```
+
+Each concrete experiment class carries:
+
+- `type_info: TypeInfo` — tag and description for factory lookup
+- `compatibility: Compatibility` — which enum axis values it supports
+
+### 3.3 Category Ownership
+
+Every experiment owns its categories as private attributes with public
+read-only or read-write properties:
+
+```python
+# Read-only — user cannot replace the object, only modify its contents
+experiment.linked_phases  # CategoryCollection
+experiment.excluded_regions  # CategoryCollection
+experiment.instrument  # CategoryItem
+experiment.peak  # CategoryItem
+experiment.data  # CategoryCollection
+
+# Type-switchable — recreates the underlying object
+experiment.background_type = 'chebyshev'  # triggers BackgroundFactory.create(...)
+experiment.peak_profile_type = 'thompson-cox-hastings'  # triggers PeakFactory.create(...)
+experiment.extinction_type = 'shelx'  # triggers ExtinctionFactory.create(...)
+experiment.linked_crystal_type = 'default'  # triggers LinkedCrystalFactory.create(...)
+experiment.excluded_regions_type = 'default'  # triggers ExcludedRegionsFactory.create(...)
+experiment.linked_phases_type = 'default'  # triggers LinkedPhasesFactory.create(...)
+```
+
+**Type switching pattern:** `expt.background_type = 'chebyshev'` rather
+than `expt.background.type = 'chebyshev'`. This keeps the API at the
+experiment level and makes it clear that the entire category object is
+being replaced.
+
+---
+
+## 4. Structure System
+
+### 4.1 Structure Hierarchy
+
+```shell
+DatablockItem
+└── Structure                       # name, cell, space_group, atom_sites
+```
+
+A `Structure` contains three categories:
+
+- `Cell` — unit cell parameters (`CategoryItem`)
+- `SpaceGroup` — symmetry information (`CategoryItem`)
+- `AtomSites` — atomic positions collection (`CategoryCollection`)
+
+Symmetry constraints (cell metric, atomic coordinates, ADPs) are applied
+via the `crystallography` module during `_update_categories()`.
+
+---
+
+## 5. Factory System
+
+### 5.1 FactoryBase
+
+All factories inherit from `FactoryBase`, which provides:
+
+| Feature            | Method / Attribute           | Description                                       |
+| ------------------ | ---------------------------- | ------------------------------------------------- |
+| Registration       | `@Factory.register`          | Class decorator, appends to `_registry`           |
+| Supported map      | `_supported_map()`           | `{tag: class}` from all registered classes        |
+| Creation           | `create(tag)`                | Instantiate by tag string                         |
+| Default resolution | `default_tag(**conditions)`  | Largest-subset matching on `_default_rules`       |
+| Context creation   | `create_default_for(**cond)` | Resolve tag → create                              |
+| Filtered query     | `supported_for(**filters)`   | Filter by `Compatibility` and `CalculatorSupport` |
+| Display            | `show_supported(**filters)`  | Pretty-print table of type + description          |
+| Tag listing        | `supported_tags()`           | List of all registered tags                       |
+
+Each `__init_subclass__` gives every factory its own independent
+`_registry` and `_default_rules`.
+
+### 5.2 Default Rules
+
+`_default_rules` maps frozensets of `(axis_name, enum_value)` tuples to
+tag strings (preferably enum values for type safety):
+
+```python
+class PeakFactory(FactoryBase):
+    _default_rules = {
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('beam_mode', BeamModeEnum.CONSTANT_WAVELENGTH),
+        }): PeakProfileTypeEnum.PSEUDO_VOIGT,
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('beam_mode', BeamModeEnum.TIME_OF_FLIGHT),
+        }): PeakProfileTypeEnum.PSEUDO_VOIGT_IKEDA_CARPENTER,
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.TOTAL),
+        }): PeakProfileTypeEnum.GAUSSIAN_DAMPED_SINC,
+    }
+```
+
+Resolution uses **largest-subset matching**: the rule whose frozenset is
+the biggest subset of the given conditions wins. `frozenset()` acts as a
+universal fallback.
+
+### 5.3 Metadata on Registered Classes
+
+Every `@Factory.register`-ed class carries three frozen dataclass
+attributes:
+
+```python
+@PeakFactory.register
+class CwlPseudoVoigt(PeakBase, CwlBroadeningMixin):
+    type_info = TypeInfo(
+        tag='pseudo-voigt',
+        description='Pseudo-Voigt profile',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+```
+
+| Metadata            | Purpose                                                 |
+| ------------------- | ------------------------------------------------------- |
+| `TypeInfo`          | Stable tag for lookup/serialisation + human description |
+| `Compatibility`     | Which enum axis values this class works with            |
+| `CalculatorSupport` | Which calculation engines support this class            |
+
+### 5.4 Registration Trigger
+
+Concrete classes use `@Factory.register` decorators. To trigger
+registration, each package's `__init__.py` must **explicitly import**
+every concrete class:
+
+```python
+# datablocks/experiment/categories/background/__init__.py
+from .chebyshev import ChebyshevPolynomialBackground
+from .line_segment import LineSegmentBackground
+```
+
+### 5.5 All Factories
+
+| Factory                      | Domain                 | Tags resolve to                                             |
+| ---------------------------- | ---------------------- | ----------------------------------------------------------- |
+| `BackgroundFactory`          | Background categories  | `LineSegmentBackground`, `ChebyshevPolynomialBackground`    |
+| `PeakFactory`                | Peak profiles          | `CwlPseudoVoigt`, `TofPseudoVoigtIkedaCarpenter`, …         |
+| `InstrumentFactory`          | Instruments            | `CwlPdInstrument`, `TofPdInstrument`, …                     |
+| `DataFactory`                | Data collections       | `PdCwlData`, `PdTofData`, `ReflnData`, `TotalData`          |
+| `ExtinctionFactory`          | Extinction models      | `ShelxExtinction`                                           |
+| `LinkedCrystalFactory`       | Linked-crystal refs    | `LinkedCrystal`                                             |
+| `ExcludedRegionsFactory`     | Excluded regions       | `ExcludedRegions`                                           |
+| `LinkedPhasesFactory`        | Linked phases          | `LinkedPhases`                                              |
+| `ExperimentTypeFactory`      | Experiment descriptors | `ExperimentType`                                            |
+| `CellFactory`                | Unit cells             | `Cell`                                                      |
+| `SpaceGroupFactory`          | Space groups           | `SpaceGroup`                                                |
+| `AtomSitesFactory`           | Atom sites             | `AtomSites`                                                 |
+| `AliasesFactory`             | Parameter aliases      | `Aliases`                                                   |
+| `ConstraintsFactory`         | Parameter constraints  | `Constraints`                                               |
+| `FitModeFactory`             | Fit-mode category      | `FitMode`                                                   |
+| `JointFitExperimentsFactory` | Joint-fit weights      | `JointFitExperiments`                                       |
+| `CalculatorFactory`          | Calculation engines    | `CryspyCalculator`, `CrysfmlCalculator`, `PdffitCalculator` |
+| `MinimizerFactory`           | Minimisers             | `LmfitMinimizer`, `DfolsMinimizer`, …                       |
+
+> **Note:** `ExperimentFactory` and `StructureFactory` are _builder_
+> factories with `from_cif_path`, `from_cif_str`, `from_data_path`, and
+> `from_scratch` classmethods. `ExperimentFactory` inherits
+> `FactoryBase` and uses `@register` on all four concrete experiment
+> classes; `_resolve_class` looks up the registered class via
+> `default_tag()` + `_supported_map()`. `StructureFactory` is a plain
+> class without `FactoryBase` inheritance (only one structure type
+> exists today).
+
+### 5.6 Tag Naming Convention
+
+Tags are the user-facing identifiers for selecting types. They must be:
+
+- **Consistent** — use the same abbreviations everywhere.
+- **Hyphen-separated** — all lowercase, words joined by hyphens.
+- **Semantically ordered** — from general to specific.
+- **Unique within a factory** — but may overlap across factories.
+
+#### Standard Abbreviations
+
+| Concept             | Abbreviation | Never use                   |
+| ------------------- | ------------ | --------------------------- |
+| Powder              | `pd`         | `powder`                    |
+| Single crystal      | `sc`         | `single-crystal`            |
+| Constant wavelength | `cwl`        | `cw`, `constant-wavelength` |
+| Time-of-flight      | `tof`        | `time-of-flight`            |
+| Bragg (scattering)  | `bragg`      |                             |
+| Total (scattering)  | `total`      |                             |
+
+#### Complete Tag Registry
+
+**Background tags**
+
+| Tag            | Class                           |
+| -------------- | ------------------------------- |
+| `line-segment` | `LineSegmentBackground`         |
+| `chebyshev`    | `ChebyshevPolynomialBackground` |
+
+**Peak tags**
+
+| Tag                                | Class                          |
+| ---------------------------------- | ------------------------------ |
+| `pseudo-voigt`                     | `CwlPseudoVoigt`               |
+| `split-pseudo-voigt`               | `CwlSplitPseudoVoigt`          |
+| `thompson-cox-hastings`            | `CwlThompsonCoxHastings`       |
+| `tof-pseudo-voigt`                 | `TofPseudoVoigt`               |
+| `tof-pseudo-voigt-ikeda-carpenter` | `TofPseudoVoigtIkedaCarpenter` |
+| `tof-pseudo-voigt-back-to-back`    | `TofPseudoVoigtBackToBack`     |
+| `gaussian-damped-sinc`             | `TotalGaussianDampedSinc`      |
+
+**Instrument tags**
+
+| Tag      | Class             |
+| -------- | ----------------- |
+| `cwl-pd` | `CwlPdInstrument` |
+| `cwl-sc` | `CwlScInstrument` |
+| `tof-pd` | `TofPdInstrument` |
+| `tof-sc` | `TofScInstrument` |
+
+**Data tags**
+
+| Tag            | Class       |
+| -------------- | ----------- |
+| `bragg-pd-cwl` | `PdCwlData` |
+| `bragg-pd-tof` | `PdTofData` |
+| `bragg-sc`     | `ReflnData` |
+| `total-pd`     | `TotalData` |
+
+**Extinction tags**
+
+| Tag     | Class             |
+| ------- | ----------------- |
+| `shelx` | `ShelxExtinction` |
+
+**Linked-crystal tags**
+
+| Tag       | Class           |
+| --------- | --------------- |
+| `default` | `LinkedCrystal` |
+
+**Experiment tags**
+
+| Tag            | Class               |
+| -------------- | ------------------- |
+| `bragg-pd`     | `BraggPdExperiment` |
+| `total-pd`     | `TotalPdExperiment` |
+| `bragg-sc-cwl` | `CwlScExperiment`   |
+| `bragg-sc-tof` | `TofScExperiment`   |
+
+**Calculator tags**
+
+| Tag       | Class               |
+| --------- | ------------------- |
+| `cryspy`  | `CryspyCalculator`  |
+| `crysfml` | `CrysfmlCalculator` |
+| `pdffit`  | `PdffitCalculator`  |
+
+**Minimizer tags**
+
+| Tag                     | Class                                     |
+| ----------------------- | ----------------------------------------- |
+| `lmfit`                 | `LmfitMinimizer`                          |
+| `lmfit (leastsq)`       | `LmfitMinimizer` (method=`leastsq`)       |
+| `lmfit (least_squares)` | `LmfitMinimizer` (method=`least_squares`) |
+| `dfols`                 | `DfolsMinimizer`                          |
+
+> **Note:** minimizer variant tags (`lmfit (leastsq)`,
+> `lmfit (least_squares)`) are planned but not yet re-implemented after
+> the `FactoryBase` migration. See `issues_open.md` for details.
+
+### 5.7 Metadata Classification — Which Classes Get What
+
+#### The Rule
+
+> **If a concrete class is created by a factory, it gets `type_info`,
+> `compatibility`, and `calculator_support`.**
+>
+> **If a `CategoryItem` only exists as a child row inside a
+> `CategoryCollection`, it does NOT get these attributes — the
+> collection does.**
+
+#### Rationale
+
+A `LineSegment` item (a single background control point) is never
+selected, created, or queried by a factory. It is always instantiated
+internally by its parent `LineSegmentBackground` collection. The
+meaningful unit of selection is the _collection_, not the item. The user
+picks "line-segment background" (the collection type), not individual
+line-segment points.
+
+#### Singleton CategoryItems — factory-created (get all three)
+
+| Class                          | Factory                 |
+| ------------------------------ | ----------------------- |
+| `CwlPdInstrument`              | `InstrumentFactory`     |
+| `CwlScInstrument`              | `InstrumentFactory`     |
+| `TofPdInstrument`              | `InstrumentFactory`     |
+| `TofScInstrument`              | `InstrumentFactory`     |
+| `CwlPseudoVoigt`               | `PeakFactory`           |
+| `CwlSplitPseudoVoigt`          | `PeakFactory`           |
+| `CwlThompsonCoxHastings`       | `PeakFactory`           |
+| `TofPseudoVoigt`               | `PeakFactory`           |
+| `TofPseudoVoigtIkedaCarpenter` | `PeakFactory`           |
+| `TofPseudoVoigtBackToBack`     | `PeakFactory`           |
+| `TotalGaussianDampedSinc`      | `PeakFactory`           |
+| `ShelxExtinction`              | `ExtinctionFactory`     |
+| `LinkedCrystal`                | `LinkedCrystalFactory`  |
+| `Cell`                         | `CellFactory`           |
+| `SpaceGroup`                   | `SpaceGroupFactory`     |
+| `ExperimentType`               | `ExperimentTypeFactory` |
+| `FitMode`                      | `FitModeFactory`        |
+
+#### CategoryCollections — factory-created (get all three)
+
+| Class                           | Factory                      |
+| ------------------------------- | ---------------------------- |
+| `LineSegmentBackground`         | `BackgroundFactory`          |
+| `ChebyshevPolynomialBackground` | `BackgroundFactory`          |
+| `PdCwlData`                     | `DataFactory`                |
+| `PdTofData`                     | `DataFactory`                |
+| `TotalData`                     | `DataFactory`                |
+| `ReflnData`                     | `DataFactory`                |
+| `ExcludedRegions`               | `ExcludedRegionsFactory`     |
+| `LinkedPhases`                  | `LinkedPhasesFactory`        |
+| `AtomSites`                     | `AtomSitesFactory`           |
+| `Aliases`                       | `AliasesFactory`             |
+| `Constraints`                   | `ConstraintsFactory`         |
+| `JointFitExperiments`           | `JointFitExperimentsFactory` |
+
+#### CategoryItems that are ONLY children of collections (NO metadata)
+
+| Class                | Parent collection               |
+| -------------------- | ------------------------------- |
+| `LineSegment`        | `LineSegmentBackground`         |
+| `PolynomialTerm`     | `ChebyshevPolynomialBackground` |
+| `AtomSite`           | `AtomSites`                     |
+| `PdCwlDataPoint`     | `PdCwlData`                     |
+| `PdTofDataPoint`     | `PdTofData`                     |
+| `TotalDataPoint`     | `TotalData`                     |
+| `Refln`              | `ReflnData`                     |
+| `LinkedPhase`        | `LinkedPhases`                  |
+| `ExcludedRegion`     | `ExcludedRegions`               |
+| `Alias`              | `Aliases`                       |
+| `Constraint`         | `Constraints`                   |
+| `JointFitExperiment` | `JointFitExperiments`           |
+
+#### Non-category classes — factory-created (get `type_info` only)
+
+| Class               | Factory             | Notes                                                    |
+| ------------------- | ------------------- | -------------------------------------------------------- |
+| `CryspyCalculator`  | `CalculatorFactory` | No `compatibility` — limitations expressed on categories |
+| `CrysfmlCalculator` | `CalculatorFactory` | (same)                                                   |
+| `PdffitCalculator`  | `CalculatorFactory` | (same)                                                   |
+| `LmfitMinimizer`    | `MinimizerFactory`  | `type_info` only                                         |
+| `DfolsMinimizer`    | `MinimizerFactory`  | (same)                                                   |
+| `BraggPdExperiment` | `ExperimentFactory` | `type_info` + `compatibility` (no `calculator_support`)  |
+| `TotalPdExperiment` | `ExperimentFactory` | (same)                                                   |
+| `CwlScExperiment`   | `ExperimentFactory` | (same)                                                   |
+| `TofScExperiment`   | `ExperimentFactory` | (same)                                                   |
+
+---
+
+## 6. Analysis
+
+### 6.1 Calculator
+
+The calculator performs the actual diffraction computation. It is
+attached per-experiment on the `ExperimentBase` object. Each experiment
+auto-resolves its calculator on first access based on the data
+category's `calculator_support` metadata and
+`CalculatorFactory._default_rules`. The `CalculatorFactory` filters its
+registry by `engine_imported` (whether the third-party library is
+available in the environment).
+
+The experiment exposes the standard switchable-category API:
+
+- `calculator` — read-only property (lazy, auto-resolved on first
+  access)
+- `calculator_type` — getter + setter
+- `show_supported_calculator_types()` — filtered by data category
+  support
+- `show_current_calculator_type()`
+
+### 6.2 Minimiser
+
+The minimiser drives the optimisation loop. `MinimizerFactory` creates
+instances by tag (e.g. `'lmfit'`, `'dfols'`).
+
+### 6.3 Fitter
+
+`Fitter` wraps a minimiser instance and orchestrates the fitting
+workflow:
+
+1. Collect `free_parameters` from structures + experiments.
+2. Record start values.
+3. Build an objective function that calls the calculator.
+4. Delegate to `minimizer.fit()`.
+5. Sync results (values + uncertainties) back to parameters.
+
+### 6.4 Analysis Object
+
+`Analysis` is bound to a `Project` and provides the high-level API:
+
+- Minimiser selection: `current_minimizer`,
+  `show_available_minimizers()`
+- Fit mode: `fit_mode` (`CategoryItem` with a `mode` descriptor
+  validated by `FitModeEnum`); `'single'` fits each experiment
+  independently, `'joint'` fits all simultaneously with weights from
+  `joint_fit_experiments`.
+- Joint-fit weights: `joint_fit_experiments` (`CategoryCollection` of
+  per-experiment weight entries); sibling of `fit_mode`, not a child.
+- Parameter tables: `show_all_params()`, `show_fittable_params()`,
+  `show_free_params()`, `how_to_access_parameters()`
+- Fitting: `fit()`, `show_fit_results()`
+- Aliases and constraints (switchable categories with `aliases_type`,
+  `constraints_type`, `fit_mode_type`, `joint_fit_experiments_type`)
+
+---
+
+## 7. Project — The Top-Level Façade
+
+`Project` is the single entry point for the user:
+
+```python
+import easydiffraction as ed
+
+project = ed.Project(name='my_project')
+```
+
+It owns and coordinates all components:
+
+| Property              | Type          | Description                              |
+| --------------------- | ------------- | ---------------------------------------- |
+| `project.info`        | `ProjectInfo` | Metadata: name, title, description, path |
+| `project.structures`  | `Structures`  | Collection of structure datablocks       |
+| `project.experiments` | `Experiments` | Collection of experiment datablocks      |
+| `project.analysis`    | `Analysis`    | Calculator, minimiser, fitting           |
+| `project.summary`     | `Summary`     | Report generation                        |
+| `project.plotter`     | `Plotter`     | Visualisation                            |
+| `project.verbosity`   | `str`         | Console output level (full/short/silent) |
+
+### 7.1 Data Flow
+
+```
+Parameter.value set
+    → AttributeSpec validation (type + value)
+    → _need_categories_update = True (on parent DatablockItem)
+
+Plot / CIF export / fit objective evaluation
+    → _update_categories()
+        → categories sorted by _update_priority
+        → each category._update()
+            → background: interpolate/evaluate → write to data
+            → calculator: compute pattern → write to data
+    → _need_categories_update = False
+```
+
+### 7.2 Persistence
+
+Projects are saved as a directory of CIF files:
+
+```shell
+project_dir/
+├── project.cif          # ProjectInfo
+├── analysis.cif         # Analysis settings
+├── summary.cif          # Summary report
+├── structures/
+│   └── lbco.cif         # One file per structure
+└── experiments/
+    └── hrpt.cif         # One file per experiment
+```
+
+### 7.3 Verbosity
+
+`Project.verbosity` controls how much console output operations produce.
+It is backed by `VerbosityEnum` (in `utils/enums.py`) and accepts three
+values:
+
+| Level    | Enum member            | Behaviour                                          |
+| -------- | ---------------------- | -------------------------------------------------- |
+| `full`   | `VerbosityEnum.FULL`   | Multi-line output with headers, tables, and detail |
+| `short`  | `VerbosityEnum.SHORT`  | One-line status message per action                 |
+| `silent` | `VerbosityEnum.SILENT` | No console output                                  |
+
+The default is `'full'`.
+
+```python
+project.verbosity = 'short'
+```
+
+**Resolution order:** methods that produce console output (e.g.
+`analysis.fit()`, `experiments.add_from_data_path()`) accept an optional
+`verbosity` keyword argument. When the argument is `None` (the default),
+the method reads `project.verbosity`. When a string is passed, it
+overrides the project-level setting for that single call.
+
+```python
+# Use project-level default for all operations
+project.verbosity = 'short'
+project.analysis.fit()                         # → short mode
+
+# Override for a single call
+project.analysis.fit(verbosity='silent')       # → silent, project stays short
+```
+
+**Output styles per level:**
+
+- **Data loading** — `full`: paragraph header + detail line; `short`:
+  `✅ Data loaded: Experiment 🔬 'name'. N points.`; `silent`: nothing.
+- **Fitting** — `full`: per-iteration progress table with improvement
+  percentages; `short`: one-row-per-experiment summary table; `silent`:
+  nothing.
+
+---
+
+## 8. User-Facing API Patterns
+
+All examples below are drawn from the actual tutorials (`tutorials/`).
+
+> **Notebook workflow:** Jupyter notebooks (`*.ipynb`) in
+> `docs/docs/tutorials/` are generated artifacts. Edit only the
+> corresponding `*.py` script, then run `pixi run notebook-convert`
+> followed by `pixi run notebook-prepare` to regenerate the notebook.
+> Never edit `*.ipynb` files by hand.
+
+### 8.1 Project Setup
+
+```python
+import easydiffraction as ed
+
+project = ed.Project(name='lbco_hrpt')
+project.info.title = 'La0.5Ba0.5CoO3 at HRPT@PSI'
+project.save_as(dir_path='lbco_hrpt', temporary=True)
+```
+
+### 8.2 Define Structures
+
+```python
+# Create a structure datablock
+project.structures.create(name='lbco')
+
+# Set space group and unit cell
+project.structures['lbco'].space_group.name_h_m = 'P m -3 m'
+project.structures['lbco'].cell.length_a = 3.88
+
+# Add atom sites
+project.structures['lbco'].atom_sites.create(
+    label='La',
+    type_symbol='La',
+    fract_x=0,
+    fract_y=0,
+    fract_z=0,
+    wyckoff_letter='a',
+    b_iso=0.5,
+    occupancy=0.5,
+)
+
+# Show as CIF
+project.structures['lbco'].show_as_cif()
+```
+
+### 8.3 Define Experiments
+
+```python
+# Download data and create experiment from a data file
+data_path = ed.download_data(id=3, destination='data')
+project.experiments.add_from_data_path(
+    name='hrpt',
+    data_path=data_path,
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+)
+
+# Set instrument parameters
+project.experiments['hrpt'].instrument.setup_wavelength = 1.494
+project.experiments['hrpt'].instrument.calib_twotheta_offset = 0.6
+
+# Browse and select peak profile type
+project.experiments['hrpt'].show_supported_peak_profile_types()
+project.experiments['hrpt'].peak_profile_type = 'pseudo-voigt'
+
+# Set peak profile parameters
+project.experiments['hrpt'].peak.broad_gauss_u = 0.1
+project.experiments['hrpt'].peak.broad_gauss_v = -0.1
+
+# Browse and select background type
+project.experiments['hrpt'].show_supported_background_types()
+project.experiments['hrpt'].background_type = 'line-segment'
+
+# Add background points
+project.experiments['hrpt'].background.create(id='10', x=10, y=170)
+project.experiments['hrpt'].background.create(id='50', x=50, y=170)
+
+# Link structure to experiment
+project.experiments['hrpt'].linked_phases.create(id='lbco', scale=10.0)
+```
+
+### 8.4 Analysis and Fitting
+
+```python
+# Calculator is auto-resolved per experiment; override if needed
+project.experiments['hrpt'].show_supported_calculator_types()
+project.experiments['hrpt'].calculator_type = 'cryspy'
+project.analysis.current_minimizer = 'lmfit'
+
+# Plot before fitting
+project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)
+
+# Select free parameters
+project.structures['lbco'].cell.length_a.free = True
+project.experiments['hrpt'].linked_phases['lbco'].scale.free = True
+project.experiments['hrpt'].instrument.calib_twotheta_offset.free = True
+project.experiments['hrpt'].background['10'].y.free = True
+
+# Inspect free parameters
+project.analysis.show_free_params()
+
+# Fit and show results
+project.analysis.fit()
+project.analysis.show_fit_results()
+
+# Plot after fitting
+project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)
+
+# Save
+project.save()
+```
+
+### 8.5 TOF Experiment (tutorial ed-7)
+
+```python
+expt = ExperimentFactory.from_data_path(
+    name='sepd',
+    data_path=data_path,
+    beam_mode='time-of-flight',
+)
+expt.instrument.calib_d_to_tof_offset = 0.0
+expt.instrument.calib_d_to_tof_linear = 7476.91
+expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'
+expt.peak.broad_gauss_sigma_0 = 3.0
+```
+
+### 8.6 Total Scattering / PDF (tutorial ed-12)
+
+```python
+project.experiments.add_from_data_path(
+    name='xray_pdf',
+    data_path=data_path,
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='xray',
+    scattering_type='total',
+)
+project.experiments['xray_pdf'].peak_profile_type = 'gaussian-damped-sinc'
+# Calculator is auto-resolved to 'pdffit' for total scattering experiments
+```
+
+---
+
+## 9. Design Principles
+
+### 9.1 Naming and CIF Conventions
+
+- Follow CIF naming conventions where possible. Deviate for better API
+  design when necessary, but keep the spirit of CIF names.
+- Reuse the concept of datablocks and categories from CIF.
+- `DatablockItem` = one CIF `data_` block, `DatablockCollection` = set
+  of blocks.
+- `CategoryItem` = one CIF category, `CategoryCollection` = CIF loop.
+
+### 9.2 Immutability of Experiment Type
+
+The experiment type (the four enum axes) can only be set at creation
+time. It cannot be changed afterwards. This avoids the complexity of
+maintaining different state transformations when switching between
+fundamentally different experiment configurations.
+
+### 9.3 Category Type Switching
+
+In contrast to experiment type, categories that have multiple
+implementations (peak profiles, backgrounds, instruments) can be
+switched at runtime by the user. The API pattern uses a type property on
+the **experiment**, not on the category itself:
+
+```python
+# ✅ Correct — type property on the experiment
+expt.background_type = 'chebyshev'
+
+# ❌ Not used — type property on the category
+expt.background.type = 'chebyshev'
+```
+
+This makes it clear that the entire category object is being replaced
+and simplifies maintenance.
+
+### 9.4 Switchable-Category Convention
+
+Categories whose concrete implementation can be swapped at runtime
+(background, peak profile, etc.) are called **switchable categories**.
+**Every category must be factory-based** — even if only one
+implementation exists today. This ensures a uniform API, consistent
+discoverability, and makes adding a second implementation trivial.
+
+| Facet           | Naming pattern                               | Example                                          |
+| --------------- | -------------------------------------------- | ------------------------------------------------ |
+| Current object  | `<category>` property (read-only)            | `expt.background`, `expt.peak`                   |
+| Active type tag | `<category>_type` property (getter + setter) | `expt.background_type`, `expt.peak_profile_type` |
+| Show supported  | `show_supported_<category>_types()`          | `expt.show_supported_background_types()`         |
+| Show current    | `show_current_<category>_type()`             | `expt.show_current_peak_profile_type()`          |
+
+The convention applies universally:
+
+- **Experiment:** `calculator_type`, `background_type`,
+  `peak_profile_type`, `extinction_type`, `linked_crystal_type`,
+  `excluded_regions_type`, `linked_phases_type`, `instrument_type`,
+  `data_type`.
+- **Structure:** `cell_type`, `space_group_type`, `atom_sites_type`.
+- **Analysis:** `aliases_type`, `constraints_type`, `fit_mode_type`,
+  `joint_fit_experiments_type`.
+
+**Design decisions:**
+
+- The **experiment owns** the `_type` setter because switching replaces
+  the entire category object
+  (`self._background = BackgroundFactory.create(...)`).
+- The **experiment owns** the `show_*` methods because they are
+  one-liners that delegate to `Factory.show_supported(...)` and can pass
+  experiment-specific context (e.g. `scattering_type`, `beam_mode` for
+  peak filtering).
+- Concrete category subclasses provide a public `show()` method for
+  displaying the current content (not on the base
+  `CategoryItem`/`CategoryCollection`).
+
+### 9.5 Discoverable Supported Options
+
+The user can always discover what is supported for the current
+experiment:
+
+```python
+expt.show_supported_peak_profile_types()
+expt.show_supported_background_types()
+expt.show_supported_calculator_types()
+expt.show_supported_extinction_types()
+expt.show_supported_linked_crystal_types()
+expt.show_supported_excluded_regions_types()
+expt.show_supported_linked_phases_types()
+expt.show_supported_instrument_types()
+expt.show_supported_data_types()
+struct.show_supported_cell_types()
+struct.show_supported_space_group_types()
+struct.show_supported_atom_sites_types()
+project.analysis.show_supported_aliases_types()
+project.analysis.show_supported_constraints_types()
+project.analysis.show_supported_fit_mode_types()
+project.analysis.show_supported_joint_fit_experiments_types()
+project.analysis.show_available_minimizers()
+```
+
+Available calculators are filtered by `engine_imported` (whether the
+library is installed) and by the experiment's data category
+`calculator_support` metadata.
+
+### 9.6 Enums for Finite Value Sets
+
+Every attribute, descriptor, or configuration option that accepts a
+**finite, closed set of values** must be represented by a `(str, Enum)`
+class. This applies to:
+
+- Factory tags (§5.6) — e.g. `PeakProfileTypeEnum`, `CalculatorEnum`.
+- Experiment-axis values — e.g. `SampleFormEnum`, `BeamModeEnum`.
+- Category descriptors with enumerated choices — e.g. fit mode
+  (`FitModeEnum.SINGLE`, `FitModeEnum.JOINT`).
+
+The enum serves as the **single source of truth** for valid values,
+their user-facing string representations, and their descriptions.
+Benefits:
+
+- **Autocomplete and typo safety** — IDEs list valid members;
+  misspellings are caught at assignment time.
+- **Greppable** — searching for `FitModeEnum.JOINT` finds every code
+  path that handles joint fitting.
+- **Type-safe dispatch** — `if mode == FitModeEnum.JOINT:` is checked by
+  type checkers; `if mode == 'joint':` is not.
+- **Consistent validation** — use `MembershipValidator` with the enum
+  members instead of `RegexValidator` with hand-written patterns.
+
+**Rule:** internal code must compare against enum members, never raw
+strings. User-facing setters accept either the enum member or its string
+value (because `str(EnumMember) == EnumMember.value` for `(str, Enum)`),
+but internal dispatch always uses the enum:
+
+```python
+# ✅ Correct — compare with enum
+if self._fit_mode.mode.value == FitModeEnum.JOINT:
+
+# ❌ Wrong — compare with raw string
+if self._fit_mode.mode.value == 'joint':
+```
+
+### 9.7 Flat Category Structure — No Nested Categories
+
+Following CIF conventions, categories are **flat siblings** within their
+owner (datablock or analysis object). A category must never be a child
+of another category of a different type. Categories can reference each
+other via IDs, but the ownership hierarchy is always:
+
+```
+Owner (DatablockItem / Analysis)
+├── CategoryA   (CategoryItem or CategoryCollection)
+├── CategoryB   (CategoryItem or CategoryCollection)
+└── CategoryC   (CategoryItem or CategoryCollection)
+```
+
+Never:
+
+```
+Owner
+└── CategoryA
+    └── CategoryB   ← WRONG: CategoryB is a child of CategoryA
+```
+
+**Example — `fit_mode` and `joint_fit_experiments`:** `fit_mode` is a
+`CategoryItem` holding the active strategy (`'single'` or `'joint'`).
+`joint_fit_experiments` is a separate `CategoryCollection` holding
+per-experiment weights. Both are direct children of `Analysis`, not
+nested:
+
+```python
+# ✅ Correct — sibling categories on Analysis
+project.analysis.fit_mode.mode = 'joint'
+project.analysis.joint_fit_experiments['npd'].weight = 0.7
+
+# ❌ Wrong — joint_fit_experiments as a child of fit_mode
+project.analysis.fit_mode.joint_fit_experiments['npd'].weight = 0.7
+```
+
+In CIF output, sibling categories appear as independent blocks:
+
+```
+_analysis.fit_mode  joint
+
+loop_
+_joint_fit_experiment.id
+_joint_fit_experiment.weight
+npd  0.7
+xrd  0.3
+```
+
+### 9.8 Property Docstring and Type-Hint Template
+
+Every public property backed by a private `Parameter`,
+`NumericDescriptor`, or `StringDescriptor` attribute must follow the
+template below. The `description` field on the descriptor is the
+**single source of truth**; docstrings and type hints are mechanically
+derived from it.
+
+**Definitions:**
+
+| Symbol    | Meaning                                                                                |
+| --------- | -------------------------------------------------------------------------------------- |
+| `{desc}`  | `description` string without trailing period                                           |
+| `{units}` | `units` string; omit the `({units})` parenthetical when absent/empty                   |
+| `{Type}`  | Descriptor class name: `Parameter`, `NumericDescriptor`, or `StringDescriptor`         |
+| `{ann}`   | Setter value annotation: `float` for numeric descriptors, `str` for string descriptors |
+
+**Template — writable property:**
+
+```python
+@property
+def length_a(self) -> Parameter:
+    """Length of the a axis of the unit cell (Å).
+
+    Reading this property returns the underlying ``Parameter``
+    object. Assigning to it updates the parameter value.
+    """
+    return self._length_a
+
+@length_a.setter
+def length_a(self, value: float) -> None:
+    self._length_a.value = value
+```
+
+**Template — read-only property:**
+
+```python
+@property
+def length_a(self) -> Parameter:
+    """Length of the a axis of the unit cell (Å).
+
+    Reading this property returns the underlying ``Parameter``
+    object.
+    """
+    return self._length_a
+```
+
+**Quick-reference table:**
+
+| Element                | Text                                                                                                           |
+| ---------------------- | -------------------------------------------------------------------------------------------------------------- |
+| Getter summary line    | `"""{desc} ({units}).` (or `"""{desc}.` when unitless)                                                         |
+| Getter body (writable) | `Reading this property returns the underlying ``{Type}`` object. Assigning to it updates the parameter value.` |
+| Getter body (readonly) | `Reading this property returns the underlying ``{Type}`` object.`                                              |
+| Setter docstring       | _(none — not rendered by griffe / MkDocs)_                                                                     |
+| Getter annotation      | `-> {Type}`                                                                                                    |
+| Setter annotation      | `value: {ann}` and `-> None`                                                                                   |
+
+**Notes:**
+
+- Getter docstrings have **no** `Args:` or `Returns:` sections.
+- Setters have **no** docstring.
+- Avoid markdown emphasis (`*a*`) in docstrings; use plain text to stay
+  in sync with the `description` field.
+- The CI tool `pixi run param-consistency-check` validates compliance;
+  `pixi run param-consistency-fix` auto-fixes violations.
+
+---
+
+## 10. Issues
+
+- **Open:** [`issues_open.md`](issues_open.md) — prioritised backlog.
+- **Closed:** [`issues_closed.md`](issues_closed.md) — resolved items
+  for reference.
+
+When a resolution affects the architecture described above, the relevant
+sections of this document are updated accordingly.
diff --git a/docs/architecture/issues_closed.md b/docs/architecture/issues_closed.md
new file mode 100644
index 00000000..a67edcbe
--- /dev/null
+++ b/docs/architecture/issues_closed.md
@@ -0,0 +1,67 @@
+# EasyDiffraction — Closed Issues
+
+Issues that have been fully resolved. Kept for historical reference.
+
+---
+
+## Dirty-Flag Guard Was Disabled
+
+**Resolution:** added `_set_value_from_minimizer()` on
+`GenericDescriptorBase` that writes `_value` directly (no validation)
+but sets the dirty flag on the parent `DatablockItem`. Both
+`LmfitMinimizer` and `DfolsMinimizer` now use it. The guard in
+`DatablockItem._update_categories()` is enabled and skips redundant
+updates on the user-facing path (CIF export, plotting). During fitting
+the guard is bypassed (`called_by_minimizer=True`) because experiment
+calculations depend on structure parameters owned by a different
+`DatablockItem`.
+
+---
+
+## Move Calculator from Global to Per-Experiment
+
+**Resolution:** removed the global calculator from `Analysis`. Each
+experiment now owns its calculator, auto-resolved on first access from
+`CalculatorFactory._default_rules` (maps `scattering_type` → default
+tag) and filtered by the data category's `calculator_support` metadata
+(e.g. `PdCwlData` → `{CRYSPY}`, `TotalData` → `{PDFFIT}`). Calculator
+classes no longer carry `compatibility` attributes — limitations are
+expressed on categories. The experiment exposes the standard
+switchable-category API: `calculator` (read-only, lazy),
+`calculator_type` (getter + setter),
+`show_supported_calculator_types()`, `show_current_calculator_type()`.
+Tutorials, tests, and docs updated.
+
+---
+
+## Add Universal Factories for All Categories
+
+**Resolution:** converted every category to use the `FactoryBase`
+pattern. Each former single-file category is now a package with
+`factory.py` (trivial `FactoryBase` subclass), `default.py` (concrete
+class with `@register` + `type_info`), and `__init__.py` (re-exports
+preserving import compatibility).
+
+Experiment categories: `Extinction` → `ShelxExtinction` /
+`ExtinctionFactory` (tag `shelx`), `LinkedCrystal` /
+`LinkedCrystalFactory` (tag `default`), `ExcludedRegions` /
+`ExcludedRegionsFactory`, `LinkedPhases` / `LinkedPhasesFactory`,
+`ExperimentType` / `ExperimentTypeFactory`.
+
+Structure categories: `Cell` / `CellFactory`, `SpaceGroup` /
+`SpaceGroupFactory`, `AtomSites` / `AtomSitesFactory`.
+
+Analysis categories: `Aliases` / `AliasesFactory`, `Constraints` /
+`ConstraintsFactory`, `JointFitExperiments` /
+`JointFitExperimentsFactory`.
+
+`ShelxExtinction` and `LinkedCrystal` get the full switchable-category
+API on `ScExperimentBase` (`extinction_type`, `linked_crystal_type`
+getter+setter, `show_supported_*_types()`, `show_current_*_type()`).
+`ExcludedRegions` and `LinkedPhases` get the same API on
+`PdExperimentBase`. `Cell`, `SpaceGroup`, and `AtomSites` get it on
+`Structure`. `Aliases` and `Constraints` get it on `Analysis`.
+Architecture §3.3, §5.5, §5.7, §9.4, §9.5 updated. Copilot instructions
+updated with universal switchable-category scope and architecture-first
+workflow rule. Unit tests extended with factory tests for extinction and
+linked-crystal.
diff --git a/docs/architecture/issues_open.md b/docs/architecture/issues_open.md
new file mode 100644
index 00000000..05ed175f
--- /dev/null
+++ b/docs/architecture/issues_open.md
@@ -0,0 +1,359 @@
+# EasyDiffraction — Open Issues
+
+Prioritised list of issues, improvements, and design questions to
+address. Items are ordered by a combination of user impact, blocking
+potential, and implementation readiness. When an item is fully
+implemented, remove it from this file and update `architecture.md` if
+needed.
+
+**Legend:** 🔴 High · 🟡 Medium · 🟢 Low
+
+---
+
+## 1. 🔴 Implement `Project.load()`
+
+**Type:** Completeness
+
+`save()` serialises all components to CIF files but `load()` is a stub
+that raises `NotImplementedError`. Users cannot round-trip a project.
+
+**Why first:** this is the highest-severity gap. Without it the save
+functionality is only half useful — CIF files are written but cannot be
+read back. Tutorials that demonstrate save/load are blocked.
+
+**Fix:** implement `load()` that reads CIF files from the project
+directory and reconstructs structures, experiments, and analysis
+settings.
+
+**Depends on:** nothing (standalone).
+
+---
+
+## 2. 🟡 Restore Minimiser Variant Support
+
+**Type:** Feature loss + Design limitation
+
+After the `FactoryBase` migration only `'lmfit'` and `'dfols'` remain as
+registered tags. The ability to select a specific lmfit algorithm (e.g.
+`'lmfit (leastsq)'`, `'lmfit (least_squares)'`) raises a `ValueError`.
+
+The root cause is that `FactoryBase` assumes one class ↔ one tag;
+registering the same class twice with different constructor arguments is
+not supported.
+
+**Fix:** decide on an approach (thin subclasses, extended registry, or
+two-level selection) and implement. Thin subclasses is the quickest.
+
+**Planned tags:**
+
+| Tag                     | Description                                                              |
+| ----------------------- | ------------------------------------------------------------------------ |
+| `lmfit`                 | LMFIT library using the default Levenberg-Marquardt least squares method |
+| `lmfit (leastsq)`       | LMFIT library with Levenberg-Marquardt least squares method              |
+| `lmfit (least_squares)` | LMFIT library with SciPy's trust region reflective algorithm             |
+| `dfols`                 | DFO-LS library for derivative-free least-squares optimization            |
+
+**Trade-offs:**
+
+| Approach                                                 | Pros                                                                   | Cons                                                                                                  |
+| -------------------------------------------------------- | ---------------------------------------------------------------------- | ----------------------------------------------------------------------------------------------------- |
+| **A. Thin subclasses** (one per variant)                 | Works today; each variant gets full metadata; no `FactoryBase` changes | Class proliferation; boilerplate                                                                      |
+| **B. Extend registry to store `(class, kwargs)` tuples** | No extra classes; factory handles variants natively                    | `_supported_map` changes shape; `TypeInfo` moves from class attribute to registration-time data       |
+| **C. Two-level selection** (`engine` + `algorithm`)      | Clean separation; engine maps to class, algorithm is a constructor arg | More complex API (`current_minimizer = ('lmfit', 'least_squares')`); needs new `FactoryBase` protocol |
+
+**Depends on:** nothing (standalone, but should be decided before more
+factories adopt variants).
+
+---
+
+## 3. 🟡 Rebuild Joint-Fit Weights on Every Fit
+
+**Type:** Fragility
+
+`joint_fit_experiments` is created once when `fit_mode` becomes
+`'joint'`. If experiments are added, removed, or renamed afterwards, the
+weight collection is stale. Joint fitting can fail with missing keys or
+run with incorrect weights.
+
+**Fix:** rebuild or validate `joint_fit_experiments` at the start of
+every joint fit. At minimum, `fit()` should assert that the weight keys
+exactly match `project.experiments.names`.
+
+**Depends on:** nothing.
+
+---
+
+## 4. 🔴 Refresh Constraint State Before Automatic Updates and Fitting
+
+**Type:** Correctness
+
+`ConstraintsHandler` is only synchronised from `analysis.aliases` and
+`analysis.constraints` when the user explicitly calls
+`project.analysis.apply_constraints()`. The normal fit / serialisation
+path calls `constraints_handler.apply()` directly, so newly added or
+edited aliases and constraints can be ignored until that manual sync
+step happens.
+
+**Why high:** this produces silently incorrect results. A user can
+define constraints, run a fit, and believe they were applied when the
+active singleton still contains stale state from a previous run or no
+state at all.
+
+**Fix:** before any automatic constraint application, always refresh the
+singleton from the current `Aliases` and `Constraints` collections. The
+sync should happen inside `Analysis._update_categories()` or inside the
+constraints category itself, not only in a user-facing helper method.
+
+**Depends on:** nothing.
+
+---
+
+## 5. 🟡 Make `Analysis` a `DatablockItem`
+
+**Type:** Consistency
+
+`Analysis` owns categories (`Aliases`, `Constraints`,
+`JointFitExperiments`) but does not extend `DatablockItem`. Its ad-hoc
+`_update_categories()` iterates over a hard-coded list and does not
+participate in standard category discovery, parameter enumeration, or
+CIF serialisation.
+
+**Fix:** make `Analysis` extend `DatablockItem`, or extract a shared
+`_update_categories()` protocol.
+
+**Depends on:** benefits from issue 1 (load/save) being designed first.
+
+---
+
+## 6. 🔴 Restrict `data_type` Switching to Compatible Types and Preserve Data Safety
+
+**Type:** Correctness + Data safety
+
+`Experiment.data_type` currently validates against all registered data
+tags rather than only those compatible with the experiment's
+`sample_form` / `scattering_type` / `beam_mode`. This allows users to
+switch an experiment to an incompatible data collection class. The
+setter also replaces the existing data object with a fresh empty
+instance, discarding loaded data without warning.
+
+**Why high:** the current API can create internally inconsistent
+experiments and silently lose measured data, which is especially
+dangerous for notebook and tutorial workflows.
+
+**Fix:** filter supported data types through
+`DataFactory.supported_for(...)` using the current experiment context,
+and warn or block when a switch would discard existing data. If runtime
+data-type switching is not a real user need, consider making `data`
+effectively fixed after experiment creation.
+
+**Depends on:** nothing.
+
+---
+
+## 7. 🟡 Eliminate Dummy `Experiments` Wrapper in Single-Fit Mode
+
+**Type:** Fragility
+
+Single-fit mode creates a throw-away `Experiments` collection per
+experiment, manually forces `_parent` via `object.__setattr__`, and
+passes it to `Fitter`. This bypasses `GuardedBase` parent tracking and
+is fragile.
+
+**Fix:** make `Fitter.fit()` accept a list of experiment objects (or a
+single experiment) instead of requiring an `Experiments` collection. Or
+add a `fit_single(experiment)` method.
+
+**Depends on:** nothing, but simpler after issue 5 (Analysis refactor)
+clarifies the fitting orchestration.
+
+---
+
+## 8. 🟡 Add Explicit `create()` Signatures on Collections
+
+**Type:** API safety
+
+`CategoryCollection.create(**kwargs)` accepts arbitrary keyword
+arguments and applies them via `setattr`. Typos are silently dropped
+(GuardedBase logs a warning but does not raise), so items are created
+with incorrect defaults.
+
+**Fix:** concrete collection subclasses (e.g. `AtomSites`, `Background`)
+should override `create()` with explicit parameters for IDE autocomplete
+and typo detection. The base `create(**kwargs)` remains as an internal
+implementation detail.
+
+**Depends on:** nothing.
+
+---
+
+## 9. 🟢 Add Future Enum Extensions
+
+**Type:** Design improvement
+
+The four current experiment axes will be extended with at least two
+more:
+
+| New axis            | Options                | Enum (proposed)          |
+| ------------------- | ---------------------- | ------------------------ |
+| Data dimensionality | 1D, 2D                 | `DataDimensionalityEnum` |
+| Beam polarisation   | unpolarised, polarised | `PolarisationEnum`       |
+
+These should follow the same `str, Enum` pattern and integrate into
+`Compatibility` (new `FrozenSet` fields), `_default_rules`, and
+`ExperimentType` (new `StringDescriptor`s with `MembershipValidator`s).
+
+**Migration path:** existing `Compatibility` objects that don't specify
+the new fields use `frozenset()` (empty = "any"), so all existing
+classes remain compatible without changes.
+
+**Depends on:** nothing.
+
+---
+
+## 10. 🟢 Unify Project-Level Update Orchestration
+
+**Type:** Maintainability
+
+`Project._update_categories(expt_name)` hard-codes the update order
+(structures → analysis → one experiment). The `_update_priority` system
+exists on categories but is not used across datablocks. The `expt_name`
+parameter means only one experiment is updated per call, inconsistent
+with joint-fit workflows.
+
+**Fix:** consider a project-level `_update_priority` on datablocks, or
+at minimum document the required update order. For joint fitting, all
+experiments should be updateable in a single call.
+
+**Depends on:** benefits from issue 5 (Analysis as DatablockItem) and
+issue 7 (fitter refactor).
+
+---
+
+## 11. 🟢 Document Category `_update` Contract
+
+**Type:** Maintainability
+
+`_update()` is an optional override with a no-op default. A clearer
+contract would help contributors:
+
+- **Active categories** (those that compute something, e.g.
+  `Background`, `Data`) should have an explicit `_update()`
+  implementation.
+- **Passive categories** (those that only store parameters, e.g. `Cell`,
+  `SpaceGroup`) keep the no-op default.
+
+The distinction is already implicit in the code; making it explicit in
+documentation (and possibly via a naming convention or flag) would
+reduce confusion for new contributors.
+
+**Depends on:** nothing.
+
+---
+
+## 12. 🟢 Add CIF Round-Trip Integration Test
+
+**Type:** Quality
+
+Ensuring every parameter survives a `save()` → `load()` cycle is
+critical for reproducibility. A systematic integration test that creates
+a project, populates all categories, saves, reloads, and compares all
+parameter values would strengthen confidence in the serialisation layer.
+
+**Depends on:** issue 1 (`Project.load()` implementation).
+
+---
+
+## 13. 🟢 Suppress Redundant Dirty-Flag Sets in Symmetry Constraints
+
+**Type:** Performance
+
+Symmetry constraint application (cell metric, atomic coordinates, ADPs)
+goes through the public `value` setter for each parameter, setting the
+dirty flag repeatedly during what is logically a single batch operation.
+
+No correctness issue — the dirty-flag guard handles this correctly. The
+redundant sets are a minor inefficiency that only matters if profiling
+shows it is a bottleneck.
+
+**Fix:** introduce a private `_set_value_no_notify()` method on
+`GenericDescriptorBase` for internal batch operations, or a context
+manager / flag on the owning datablock to suppress notifications during
+a batch.
+
+**Depends on:** nothing, but low priority.
+
+---
+
+## 14. 🟢 Finer-Grained Parameter Change Tracking
+
+**Type:** Performance
+
+The current dirty-flag approach (`_need_categories_update` on
+`DatablockItem`) triggers a full update of all categories when any
+parameter changes. This is simple and correct. If performance becomes a
+concern with many categories, a more granular approach could track which
+specific categories are dirty. Only implement when profiling proves it
+is needed.
+
+**Depends on:** nothing, but low priority.
+
+---
+
+## 15. 🟡 Validate Joint-Fit Weights Before Residual Normalisation
+
+**Type:** Correctness
+
+Joint-fit weights currently allow invalid numeric values such as
+negatives or an all-zero set. The residual code then normalises by the
+total weight and applies `sqrt(weight)`, which can produce
+division-by-zero or `nan` residuals.
+
+**Fix:** require weights to be strictly positive, or at minimum validate
+that all weights are non-negative and their total is greater than zero
+before normalisation. This should fail with a clear user-facing error
+instead of letting invalid floating-point values propagate into the
+minimiser.
+
+**Depends on:** related to issue 3, but independent.
+
+---
+
+## 16. 🟡 Persist Per-Experiment `calculator_type`
+
+**Type:** Completeness
+
+The current architecture moved calculator selection to the experiment
+level via `calculator_type`, but this selection is not written to CIF
+during `save()` / `show_as_cif()`. Reloading or exporting a project
+therefore loses explicit calculator choices and falls back to
+auto-resolution.
+
+**Fix:** serialise `calculator_type` as part of the experiment or
+analysis state, and make sure `load()` restores it. The saved project
+should represent the exact active calculator configuration, not just a
+re-derivable default.
+
+**Depends on:** issue 1 (`Project.load()` implementation).
+
+---
+
+## Summary
+
+| #   | Issue                                      | Severity | Type                    |
+| --- | ------------------------------------------ | -------- | ----------------------- |
+| 1   | Implement `Project.load()`                 | 🔴 High  | Completeness            |
+| 2   | Restore minimiser variants                 | 🟡 Med   | Feature loss            |
+| 3   | Rebuild joint-fit weights                  | 🟡 Med   | Fragility               |
+| 4   | Refresh constraint state before auto-apply | 🔴 High  | Correctness             |
+| 5   | `Analysis` as `DatablockItem`              | 🟡 Med   | Consistency             |
+| 6   | Restrict `data_type` switching             | 🔴 High  | Correctness/Data safety |
+| 7   | Eliminate dummy `Experiments`              | 🟡 Med   | Fragility               |
+| 8   | Explicit `create()` signatures             | 🟡 Med   | API safety              |
+| 9   | Future enum extensions                     | 🟢 Low   | Design                  |
+| 10  | Unify update orchestration                 | 🟢 Low   | Maintainability         |
+| 11  | Document `_update` contract                | 🟢 Low   | Maintainability         |
+| 12  | CIF round-trip integration test            | 🟢 Low   | Quality                 |
+| 13  | Suppress redundant dirty-flag sets         | 🟢 Low   | Performance             |
+| 14  | Finer-grained change tracking              | 🟢 Low   | Performance             |
+| 15  | Validate joint-fit weights                 | 🟡 Med   | Correctness             |
+| 16  | Persist per-experiment `calculator_type`   | 🟡 Med   | Completeness            |
diff --git a/docs/architecture/package-structure-full.md b/docs/architecture/package-structure-full.md
index e24eadab..74662449 100644
--- a/docs/architecture/package-structure-full.md
+++ b/docs/architecture/package-structure-full.md
@@ -67,37 +67,176 @@
 │   │   └── 🏷️ class GuardedBase
 │   ├── 📄 identity.py
 │   │   └── 🏷️ class Identity
-│   ├── 📄 parameters.py
-│   │   ├── 🏷️ class GenericDescriptorBase
-│   │   ├── 🏷️ class GenericStringDescriptor
-│   │   ├── 🏷️ class GenericNumericDescriptor
-│   │   ├── 🏷️ class GenericParameter
-│   │   ├── 🏷️ class StringDescriptor
-│   │   ├── 🏷️ class NumericDescriptor
-│   │   └── 🏷️ class Parameter
-│   ├── 📄 singletons.py
+│   ├── 📄 metadata.py
+│   │   ├── 🏷️ class TypeInfo
+│   │   ├── 🏷️ class Compatibility
+│   │   └── 🏷️ class CalculatorSupport
+│   ├── 📄 singleton.py
 │   │   ├── 🏷️ class SingletonBase
 │   │   ├── 🏷️ class UidMapHandler
 │   │   └── 🏷️ class ConstraintsHandler
-│   └── 📄 validation.py
-│       ├── 🏷️ class DataTypes
-│       ├── 🏷️ class ValidationStage
-│       ├── 🏷️ class ValidatorBase
-│       ├── 🏷️ class TypeValidator
-│       ├── 🏷️ class RangeValidator
-│       ├── 🏷️ class MembershipValidator
-│       ├── 🏷️ class RegexValidator
-│       └── 🏷️ class AttributeSpec
+│   ├── 📄 validation.py
+│   │   ├── 🏷️ class DataTypeHints
+│   │   ├── 🏷️ class DataTypes
+│   │   ├── 🏷️ class ValidationStage
+│   │   ├── 🏷️ class ValidatorBase
+│   │   ├── 🏷️ class TypeValidator
+│   │   ├── 🏷️ class RangeValidator
+│   │   ├── 🏷️ class MembershipValidator
+│   │   ├── 🏷️ class RegexValidator
+│   │   └── 🏷️ class AttributeSpec
+│   └── 📄 variable.py
+│       ├── 🏷️ class GenericDescriptorBase
+│       ├── 🏷️ class GenericStringDescriptor
+│       ├── 🏷️ class GenericNumericDescriptor
+│       ├── 🏷️ class GenericParameter
+│       ├── 🏷️ class StringDescriptor
+│       ├── 🏷️ class NumericDescriptor
+│       └── 🏷️ class Parameter
 ├── 📁 crystallography
 │   ├── 📄 __init__.py
 │   ├── 📄 crystallography.py
 │   └── 📄 space_groups.py
+├── 📁 datablocks
+│   ├── 📁 experiment
+│   │   ├── 📁 categories
+│   │   │   ├── 📁 background
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 base.py
+│   │   │   │   │   └── 🏷️ class BackgroundBase
+│   │   │   │   ├── 📄 chebyshev.py
+│   │   │   │   │   ├── 🏷️ class PolynomialTerm
+│   │   │   │   │   └── 🏷️ class ChebyshevPolynomialBackground
+│   │   │   │   ├── 📄 enums.py
+│   │   │   │   │   └── 🏷️ class BackgroundTypeEnum
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   │   └── 🏷️ class BackgroundFactory
+│   │   │   │   └── 📄 line_segment.py
+│   │   │   │       ├── 🏷️ class LineSegment
+│   │   │   │       └── 🏷️ class LineSegmentBackground
+│   │   │   ├── 📁 data
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 bragg_pd.py
+│   │   │   │   │   ├── 🏷️ class PdDataPointBaseMixin
+│   │   │   │   │   ├── 🏷️ class PdCwlDataPointMixin
+│   │   │   │   │   ├── 🏷️ class PdTofDataPointMixin
+│   │   │   │   │   ├── 🏷️ class PdCwlDataPoint
+│   │   │   │   │   ├── 🏷️ class PdTofDataPoint
+│   │   │   │   │   ├── 🏷️ class PdDataBase
+│   │   │   │   │   ├── 🏷️ class PdCwlData
+│   │   │   │   │   └── 🏷️ class PdTofData
+│   │   │   │   ├── 📄 bragg_sc.py
+│   │   │   │   │   ├── 🏷️ class Refln
+│   │   │   │   │   └── 🏷️ class ReflnData
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   │   └── 🏷️ class DataFactory
+│   │   │   │   └── 📄 total_pd.py
+│   │   │   │       ├── 🏷️ class TotalDataPoint
+│   │   │   │       ├── 🏷️ class TotalDataBase
+│   │   │   │       └── 🏷️ class TotalData
+│   │   │   ├── 📁 instrument
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 base.py
+│   │   │   │   │   └── 🏷️ class InstrumentBase
+│   │   │   │   ├── 📄 cwl.py
+│   │   │   │   │   ├── 🏷️ class CwlInstrumentBase
+│   │   │   │   │   ├── 🏷️ class CwlScInstrument
+│   │   │   │   │   └── 🏷️ class CwlPdInstrument
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   │   └── 🏷️ class InstrumentFactory
+│   │   │   │   └── 📄 tof.py
+│   │   │   │       ├── 🏷️ class TofScInstrument
+│   │   │   │       └── 🏷️ class TofPdInstrument
+│   │   │   ├── 📁 peak
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 base.py
+│   │   │   │   │   └── 🏷️ class PeakBase
+│   │   │   │   ├── 📄 cwl.py
+│   │   │   │   │   ├── 🏷️ class CwlPseudoVoigt
+│   │   │   │   │   ├── 🏷️ class CwlSplitPseudoVoigt
+│   │   │   │   │   └── 🏷️ class CwlThompsonCoxHastings
+│   │   │   │   ├── 📄 cwl_mixins.py
+│   │   │   │   │   ├── 🏷️ class CwlBroadeningMixin
+│   │   │   │   │   ├── 🏷️ class EmpiricalAsymmetryMixin
+│   │   │   │   │   └── 🏷️ class FcjAsymmetryMixin
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   │   └── 🏷️ class PeakFactory
+│   │   │   │   ├── 📄 tof.py
+│   │   │   │   │   ├── 🏷️ class TofPseudoVoigt
+│   │   │   │   │   ├── 🏷️ class TofPseudoVoigtIkedaCarpenter
+│   │   │   │   │   └── 🏷️ class TofPseudoVoigtBackToBack
+│   │   │   │   ├── 📄 tof_mixins.py
+│   │   │   │   │   ├── 🏷️ class TofBroadeningMixin
+│   │   │   │   │   └── 🏷️ class IkedaCarpenterAsymmetryMixin
+│   │   │   │   ├── 📄 total.py
+│   │   │   │   │   └── 🏷️ class TotalGaussianDampedSinc
+│   │   │   │   └── 📄 total_mixins.py
+│   │   │   │       └── 🏷️ class TotalBroadeningMixin
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 excluded_regions.py
+│   │   │   │   ├── 🏷️ class ExcludedRegion
+│   │   │   │   └── 🏷️ class ExcludedRegions
+│   │   │   ├── 📄 experiment_type.py
+│   │   │   │   └── 🏷️ class ExperimentType
+│   │   │   ├── 📄 extinction.py
+│   │   │   │   └── 🏷️ class Extinction
+│   │   │   ├── 📄 linked_crystal.py
+│   │   │   │   └── 🏷️ class LinkedCrystal
+│   │   │   └── 📄 linked_phases.py
+│   │   │       ├── 🏷️ class LinkedPhase
+│   │   │       └── 🏷️ class LinkedPhases
+│   │   ├── 📁 item
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 base.py
+│   │   │   │   ├── 🏷️ class ExperimentBase
+│   │   │   │   ├── 🏷️ class ScExperimentBase
+│   │   │   │   └── 🏷️ class PdExperimentBase
+│   │   │   ├── 📄 bragg_pd.py
+│   │   │   │   └── 🏷️ class BraggPdExperiment
+│   │   │   ├── 📄 bragg_sc.py
+│   │   │   │   ├── 🏷️ class CwlScExperiment
+│   │   │   │   └── 🏷️ class TofScExperiment
+│   │   │   ├── 📄 enums.py
+│   │   │   │   ├── 🏷️ class SampleFormEnum
+│   │   │   │   ├── 🏷️ class ScatteringTypeEnum
+│   │   │   │   ├── 🏷️ class RadiationProbeEnum
+│   │   │   │   ├── 🏷️ class BeamModeEnum
+│   │   │   │   ├── 🏷️ class CalculatorEnum
+│   │   │   │   └── 🏷️ class PeakProfileTypeEnum
+│   │   │   ├── 📄 factory.py
+│   │   │   │   └── 🏷️ class ExperimentFactory
+│   │   │   └── 📄 total_pd.py
+│   │   │       └── 🏷️ class TotalPdExperiment
+│   │   ├── 📄 __init__.py
+│   │   └── 📄 collection.py
+│   │       └── 🏷️ class Experiments
+│   ├── 📁 structure
+│   │   ├── 📁 categories
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 atom_sites.py
+│   │   │   │   ├── 🏷️ class AtomSite
+│   │   │   │   └── 🏷️ class AtomSites
+│   │   │   ├── 📄 cell.py
+│   │   │   │   └── 🏷️ class Cell
+│   │   │   └── 📄 space_group.py
+│   │   │       └── 🏷️ class SpaceGroup
+│   │   ├── 📁 item
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 base.py
+│   │   │   │   └── 🏷️ class Structure
+│   │   │   └── 📄 factory.py
+│   │   │       └── 🏷️ class StructureFactory
+│   │   ├── 📄 __init__.py
+│   │   └── 📄 collection.py
+│   │       └── 🏷️ class Structures
+│   └── 📄 __init__.py
 ├── 📁 display
 │   ├── 📁 plotters
 │   │   ├── 📄 __init__.py
 │   │   ├── 📄 ascii.py
 │   │   │   └── 🏷️ class AsciiPlotter
 │   │   ├── 📄 base.py
+│   │   │   ├── 🏷️ class XAxisType
 │   │   │   └── 🏷️ class PlotterBase
 │   │   └── 📄 plotly.py
 │   │       └── 🏷️ class PlotlyPlotter
@@ -123,108 +262,6 @@
 │   │   └── 🏷️ class TableRendererFactory
 │   └── 📄 utils.py
 │       └── 🏷️ class JupyterScrollManager
-├── 📁 experiments
-│   ├── 📁 categories
-│   │   ├── 📁 background
-│   │   │   ├── 📄 __init__.py
-│   │   │   ├── 📄 base.py
-│   │   │   │   └── 🏷️ class BackgroundBase
-│   │   │   ├── 📄 chebyshev.py
-│   │   │   │   ├── 🏷️ class PolynomialTerm
-│   │   │   │   └── 🏷️ class ChebyshevPolynomialBackground
-│   │   │   ├── 📄 enums.py
-│   │   │   │   └── 🏷️ class BackgroundTypeEnum
-│   │   │   ├── 📄 factory.py
-│   │   │   │   └── 🏷️ class BackgroundFactory
-│   │   │   └── 📄 line_segment.py
-│   │   │       ├── 🏷️ class LineSegment
-│   │   │       └── 🏷️ class LineSegmentBackground
-│   │   ├── 📁 data
-│   │   │   ├── 📄 bragg_pd.py
-│   │   │   │   ├── 🏷️ class PdDataPointBaseMixin
-│   │   │   │   ├── 🏷️ class PdCwlDataPointMixin
-│   │   │   │   ├── 🏷️ class PdTofDataPointMixin
-│   │   │   │   ├── 🏷️ class PdCwlDataPoint
-│   │   │   │   ├── 🏷️ class PdTofDataPoint
-│   │   │   │   ├── 🏷️ class PdDataBase
-│   │   │   │   ├── 🏷️ class PdCwlData
-│   │   │   │   └── 🏷️ class PdTofData
-│   │   │   ├── 📄 bragg_sc.py
-│   │   │   │   └── 🏷️ class Refln
-│   │   │   ├── 📄 factory.py
-│   │   │   │   └── 🏷️ class DataFactory
-│   │   │   └── 📄 total.py
-│   │   │       ├── 🏷️ class TotalDataPoint
-│   │   │       ├── 🏷️ class TotalDataBase
-│   │   │       └── 🏷️ class TotalData
-│   │   ├── 📁 instrument
-│   │   │   ├── 📄 __init__.py
-│   │   │   ├── 📄 base.py
-│   │   │   │   └── 🏷️ class InstrumentBase
-│   │   │   ├── 📄 cwl.py
-│   │   │   │   └── 🏷️ class CwlInstrument
-│   │   │   ├── 📄 factory.py
-│   │   │   │   └── 🏷️ class InstrumentFactory
-│   │   │   └── 📄 tof.py
-│   │   │       └── 🏷️ class TofInstrument
-│   │   ├── 📁 peak
-│   │   │   ├── 📄 __init__.py
-│   │   │   ├── 📄 base.py
-│   │   │   │   └── 🏷️ class PeakBase
-│   │   │   ├── 📄 cwl.py
-│   │   │   │   ├── 🏷️ class CwlPseudoVoigt
-│   │   │   │   ├── 🏷️ class CwlSplitPseudoVoigt
-│   │   │   │   └── 🏷️ class CwlThompsonCoxHastings
-│   │   │   ├── 📄 cwl_mixins.py
-│   │   │   │   ├── 🏷️ class CwlBroadeningMixin
-│   │   │   │   ├── 🏷️ class EmpiricalAsymmetryMixin
-│   │   │   │   └── 🏷️ class FcjAsymmetryMixin
-│   │   │   ├── 📄 factory.py
-│   │   │   │   └── 🏷️ class PeakFactory
-│   │   │   ├── 📄 tof.py
-│   │   │   │   ├── 🏷️ class TofPseudoVoigt
-│   │   │   │   ├── 🏷️ class TofPseudoVoigtIkedaCarpenter
-│   │   │   │   └── 🏷️ class TofPseudoVoigtBackToBack
-│   │   │   ├── 📄 tof_mixins.py
-│   │   │   │   ├── 🏷️ class TofBroadeningMixin
-│   │   │   │   └── 🏷️ class IkedaCarpenterAsymmetryMixin
-│   │   │   ├── 📄 total.py
-│   │   │   │   └── 🏷️ class TotalGaussianDampedSinc
-│   │   │   └── 📄 total_mixins.py
-│   │   │       └── 🏷️ class TotalBroadeningMixin
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 excluded_regions.py
-│   │   │   ├── 🏷️ class ExcludedRegion
-│   │   │   └── 🏷️ class ExcludedRegions
-│   │   ├── 📄 experiment_type.py
-│   │   │   └── 🏷️ class ExperimentType
-│   │   └── 📄 linked_phases.py
-│   │       ├── 🏷️ class LinkedPhase
-│   │       └── 🏷️ class LinkedPhases
-│   ├── 📁 experiment
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 base.py
-│   │   │   ├── 🏷️ class ExperimentBase
-│   │   │   └── 🏷️ class PdExperimentBase
-│   │   ├── 📄 bragg_pd.py
-│   │   │   └── 🏷️ class BraggPdExperiment
-│   │   ├── 📄 bragg_sc.py
-│   │   │   └── 🏷️ class BraggScExperiment
-│   │   ├── 📄 enums.py
-│   │   │   ├── 🏷️ class SampleFormEnum
-│   │   │   ├── 🏷️ class ScatteringTypeEnum
-│   │   │   ├── 🏷️ class RadiationProbeEnum
-│   │   │   ├── 🏷️ class BeamModeEnum
-│   │   │   └── 🏷️ class PeakProfileTypeEnum
-│   │   ├── 📄 factory.py
-│   │   │   └── 🏷️ class ExperimentFactory
-│   │   ├── 📄 instrument_mixin.py
-│   │   │   └── 🏷️ class InstrumentMixin
-│   │   └── 📄 total_pd.py
-│   │       └── 🏷️ class TotalPdExperiment
-│   ├── 📄 __init__.py
-│   └── 📄 experiments.py
-│       └── 🏷️ class Experiments
 ├── 📁 io
 │   ├── 📁 cif
 │   │   ├── 📄 __init__.py
@@ -239,30 +276,17 @@
 │   │   └── 🏷️ class Project
 │   └── 📄 project_info.py
 │       └── 🏷️ class ProjectInfo
-├── 📁 sample_models
-│   ├── 📁 categories
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 atom_sites.py
-│   │   │   ├── 🏷️ class AtomSite
-│   │   │   └── 🏷️ class AtomSites
-│   │   ├── 📄 cell.py
-│   │   │   └── 🏷️ class Cell
-│   │   └── 📄 space_group.py
-│   │       └── 🏷️ class SpaceGroup
-│   ├── 📁 sample_model
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 base.py
-│   │   │   └── 🏷️ class SampleModelBase
-│   │   └── 📄 factory.py
-│   │       └── 🏷️ class SampleModelFactory
-│   ├── 📄 __init__.py
-│   └── 📄 sample_models.py
-│       └── 🏷️ class SampleModels
 ├── 📁 summary
 │   ├── 📄 __init__.py
 │   └── 📄 summary.py
 │       └── 🏷️ class Summary
 ├── 📁 utils
+│   ├── 📁 _vendored
+│   │   ├── 📁 jupyter_dark_detect
+│   │   │   ├── 📄 __init__.py
+│   │   │   └── 📄 detector.py
+│   │   ├── 📄 __init__.py
+│   │   └── 📄 theme_detect.py
 │   ├── 📄 __init__.py
 │   ├── 📄 environment.py
 │   ├── 📄 logging.py
diff --git a/docs/architecture/package-structure-short.md b/docs/architecture/package-structure-short.md
index 7f9d5af0..efe89066 100644
--- a/docs/architecture/package-structure-short.md
+++ b/docs/architecture/package-structure-short.md
@@ -38,13 +38,75 @@
 │   ├── 📄 factory.py
 │   ├── 📄 guard.py
 │   ├── 📄 identity.py
-│   ├── 📄 parameters.py
-│   ├── 📄 singletons.py
-│   └── 📄 validation.py
+│   ├── 📄 metadata.py
+│   ├── 📄 singleton.py
+│   ├── 📄 validation.py
+│   └── 📄 variable.py
 ├── 📁 crystallography
 │   ├── 📄 __init__.py
 │   ├── 📄 crystallography.py
 │   └── 📄 space_groups.py
+├── 📁 datablocks
+│   ├── 📁 experiment
+│   │   ├── 📁 categories
+│   │   │   ├── 📁 background
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 base.py
+│   │   │   │   ├── 📄 chebyshev.py
+│   │   │   │   ├── 📄 enums.py
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   └── 📄 line_segment.py
+│   │   │   ├── 📁 data
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 bragg_pd.py
+│   │   │   │   ├── 📄 bragg_sc.py
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   └── 📄 total_pd.py
+│   │   │   ├── 📁 instrument
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 base.py
+│   │   │   │   ├── 📄 cwl.py
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   └── 📄 tof.py
+│   │   │   ├── 📁 peak
+│   │   │   │   ├── 📄 __init__.py
+│   │   │   │   ├── 📄 base.py
+│   │   │   │   ├── 📄 cwl.py
+│   │   │   │   ├── 📄 cwl_mixins.py
+│   │   │   │   ├── 📄 factory.py
+│   │   │   │   ├── 📄 tof.py
+│   │   │   │   ├── 📄 tof_mixins.py
+│   │   │   │   ├── 📄 total.py
+│   │   │   │   └── 📄 total_mixins.py
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 excluded_regions.py
+│   │   │   ├── 📄 experiment_type.py
+│   │   │   ├── 📄 extinction.py
+│   │   │   ├── 📄 linked_crystal.py
+│   │   │   └── 📄 linked_phases.py
+│   │   ├── 📁 item
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 base.py
+│   │   │   ├── 📄 bragg_pd.py
+│   │   │   ├── 📄 bragg_sc.py
+│   │   │   ├── 📄 enums.py
+│   │   │   ├── 📄 factory.py
+│   │   │   └── 📄 total_pd.py
+│   │   ├── 📄 __init__.py
+│   │   └── 📄 collection.py
+│   ├── 📁 structure
+│   │   ├── 📁 categories
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 atom_sites.py
+│   │   │   ├── 📄 cell.py
+│   │   │   └── 📄 space_group.py
+│   │   ├── 📁 item
+│   │   │   ├── 📄 __init__.py
+│   │   │   ├── 📄 base.py
+│   │   │   └── 📄 factory.py
+│   │   ├── 📄 __init__.py
+│   │   └── 📄 collection.py
+│   └── 📄 __init__.py
 ├── 📁 display
 │   ├── 📁 plotters
 │   │   ├── 📄 __init__.py
@@ -61,51 +123,6 @@
 │   ├── 📄 plotting.py
 │   ├── 📄 tables.py
 │   └── 📄 utils.py
-├── 📁 experiments
-│   ├── 📁 categories
-│   │   ├── 📁 background
-│   │   │   ├── 📄 __init__.py
-│   │   │   ├── 📄 base.py
-│   │   │   ├── 📄 chebyshev.py
-│   │   │   ├── 📄 enums.py
-│   │   │   ├── 📄 factory.py
-│   │   │   └── 📄 line_segment.py
-│   │   ├── 📁 data
-│   │   │   ├── 📄 bragg_pd.py
-│   │   │   ├── 📄 bragg_sc.py
-│   │   │   ├── 📄 factory.py
-│   │   │   └── 📄 total.py
-│   │   ├── 📁 instrument
-│   │   │   ├── 📄 __init__.py
-│   │   │   ├── 📄 base.py
-│   │   │   ├── 📄 cwl.py
-│   │   │   ├── 📄 factory.py
-│   │   │   └── 📄 tof.py
-│   │   ├── 📁 peak
-│   │   │   ├── 📄 __init__.py
-│   │   │   ├── 📄 base.py
-│   │   │   ├── 📄 cwl.py
-│   │   │   ├── 📄 cwl_mixins.py
-│   │   │   ├── 📄 factory.py
-│   │   │   ├── 📄 tof.py
-│   │   │   ├── 📄 tof_mixins.py
-│   │   │   ├── 📄 total.py
-│   │   │   └── 📄 total_mixins.py
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 excluded_regions.py
-│   │   ├── 📄 experiment_type.py
-│   │   └── 📄 linked_phases.py
-│   ├── 📁 experiment
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 base.py
-│   │   ├── 📄 bragg_pd.py
-│   │   ├── 📄 bragg_sc.py
-│   │   ├── 📄 enums.py
-│   │   ├── 📄 factory.py
-│   │   ├── 📄 instrument_mixin.py
-│   │   └── 📄 total_pd.py
-│   ├── 📄 __init__.py
-│   └── 📄 experiments.py
 ├── 📁 io
 │   ├── 📁 cif
 │   │   ├── 📄 __init__.py
@@ -117,22 +134,16 @@
 │   ├── 📄 __init__.py
 │   ├── 📄 project.py
 │   └── 📄 project_info.py
-├── 📁 sample_models
-│   ├── 📁 categories
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 atom_sites.py
-│   │   ├── 📄 cell.py
-│   │   └── 📄 space_group.py
-│   ├── 📁 sample_model
-│   │   ├── 📄 __init__.py
-│   │   ├── 📄 base.py
-│   │   └── 📄 factory.py
-│   ├── 📄 __init__.py
-│   └── 📄 sample_models.py
 ├── 📁 summary
 │   ├── 📄 __init__.py
 │   └── 📄 summary.py
 ├── 📁 utils
+│   ├── 📁 _vendored
+│   │   ├── 📁 jupyter_dark_detect
+│   │   │   ├── 📄 __init__.py
+│   │   │   └── 📄 detector.py
+│   │   ├── 📄 __init__.py
+│   │   └── 📄 theme_detect.py
 │   ├── 📄 __init__.py
 │   ├── 📄 environment.py
 │   ├── 📄 logging.py
diff --git a/docs/api-reference/analysis.md b/docs/docs/api-reference/analysis.md
similarity index 100%
rename from docs/api-reference/analysis.md
rename to docs/docs/api-reference/analysis.md
diff --git a/docs/api-reference/core.md b/docs/docs/api-reference/core.md
similarity index 100%
rename from docs/api-reference/core.md
rename to docs/docs/api-reference/core.md
diff --git a/docs/api-reference/crystallography.md b/docs/docs/api-reference/crystallography.md
similarity index 100%
rename from docs/api-reference/crystallography.md
rename to docs/docs/api-reference/crystallography.md
diff --git a/docs/docs/api-reference/datablocks/experiment.md b/docs/docs/api-reference/datablocks/experiment.md
new file mode 100644
index 00000000..b0d19a6a
--- /dev/null
+++ b/docs/docs/api-reference/datablocks/experiment.md
@@ -0,0 +1 @@
+::: easydiffraction.datablocks.experiment
diff --git a/docs/docs/api-reference/datablocks/structure.md b/docs/docs/api-reference/datablocks/structure.md
new file mode 100644
index 00000000..43f752ff
--- /dev/null
+++ b/docs/docs/api-reference/datablocks/structure.md
@@ -0,0 +1 @@
+::: easydiffraction.datablocks.structure
diff --git a/docs/api-reference/display.md b/docs/docs/api-reference/display.md
similarity index 100%
rename from docs/api-reference/display.md
rename to docs/docs/api-reference/display.md
diff --git a/docs/api-reference/index.md b/docs/docs/api-reference/index.md
similarity index 60%
rename from docs/api-reference/index.md
rename to docs/docs/api-reference/index.md
index 25418279..351d7f56 100644
--- a/docs/api-reference/index.md
+++ b/docs/docs/api-reference/index.md
@@ -7,18 +7,20 @@ icon: material/code-braces-box
 This section contains the reference detailing the functions and modules
 available in EasyDiffraction:
 
-- [core](core.md) – Contains core utilities and foundational objects used across
-  the package.
-- [crystallography](crystallography.md) – Handles crystallographic calculations,
-  space groups, and symmetry operations.
+- [core](core.md) – Contains core utilities and foundational objects
+  used across the package.
+- [crystallography](crystallography.md) – Handles crystallographic
+  calculations, space groups, and symmetry operations.
 - [utils](utils.md) – Miscellaneous utility functions for formatting,
   decorators, and general helpers.
+- datablocks
+  - [experiments](datablocks/experiment.md) – Manages experimental
+    setups and instrument parameters, as well as the associated
+    diffraction data.
+  - [structures](datablocks/structure.md) – Defines structures, such as
+    crystallographic structures, and manages their properties.
 - [display](display.md) – Tools for plotting data and rendering tables.
 - [project](project.md) – Defines the project and manages its state.
-- [sample_models](sample_models.md) – Defines sample models, such as
-  crystallographic structures, and manages their properties.
-- [experiments](experiments.md) – Manages experimental setups and instrument
-  parameters, as well as the associated diffraction data.
-- [analysis](analysis.md) – Provides tools for analyzing diffraction data,
-  including fitting and minimization.
+- [analysis](analysis.md) – Provides tools for analyzing diffraction
+  data, including fitting and minimization.
 - [summary](summary.md) – Provides a summary of the project.
diff --git a/docs/api-reference/io.md b/docs/docs/api-reference/io.md
similarity index 100%
rename from docs/api-reference/io.md
rename to docs/docs/api-reference/io.md
diff --git a/docs/api-reference/project.md b/docs/docs/api-reference/project.md
similarity index 100%
rename from docs/api-reference/project.md
rename to docs/docs/api-reference/project.md
diff --git a/docs/api-reference/summary.md b/docs/docs/api-reference/summary.md
similarity index 100%
rename from docs/api-reference/summary.md
rename to docs/docs/api-reference/summary.md
diff --git a/docs/api-reference/utils.md b/docs/docs/api-reference/utils.md
similarity index 100%
rename from docs/api-reference/utils.md
rename to docs/docs/api-reference/utils.md
diff --git a/docs/docs/assets/images/favicon.png b/docs/docs/assets/images/favicon.png
new file mode 100644
index 00000000..27628988
Binary files /dev/null and b/docs/docs/assets/images/favicon.png differ
diff --git a/docs/docs/assets/images/logo_dark.svg b/docs/docs/assets/images/logo_dark.svg
new file mode 100644
index 00000000..0be819d0
--- /dev/null
+++ b/docs/docs/assets/images/logo_dark.svg
@@ -0,0 +1,41 @@
+<?xml version="1.0" encoding="utf-8"?>
+<svg viewBox="0 0 205 65" xmlns="http://www.w3.org/2000/svg" xmlns:bx="https://boxy-svg.com" height="65px">
+  <defs>
+    <radialGradient id="gradient-1" gradientUnits="userSpaceOnUse" cx="152.286" cy="126.898" r="330" gradientTransform="matrix(0.638467, -1.091841, 1.097297, 0.641658, 52.656119, 215.401816)">
+      <stop offset="0" style="stop-color: rgb(0, 170, 237);"/>
+      <stop offset="1" style="stop-color: rgb(0, 145, 202);"/>
+    </radialGradient>
+    <linearGradient id="gradient-0" gradientUnits="userSpaceOnUse" x1="330" y1="0" x2="330" y2="660" gradientTransform="matrix(0.980745, -0.195296, 0.195753, 0.983035, -58.734308, 67.665557)">
+      <stop offset="0" style="stop-color: rgb(152, 226, 255);"/>
+      <stop offset="1" style="stop-color: rgb(78, 193, 239);"/>
+    </linearGradient>
+    <bx:grid x="0" y="0" width="190" height="80"/>
+  </defs>
+  <g transform="matrix(0.341978, 0, 0, 0.341978, -0.561026, 0.22259)">
+    <g transform="matrix(0.283555, 0, 0, 0.283555, 3.122751, 1.671054)">
+      <title>Logo</title>
+      <circle style="fill: url(&quot;#gradient-1&quot;); stroke: url(&quot;#gradient-0&quot;); paint-order: fill; stroke-width: 10.3125px;" cx="329.929" cy="326.968" r="330">
+        <title>Main circle</title>
+      </circle>
+      <g transform="matrix(1, 0, 0, 1, 76.243515, 77.183487)">
+        <title>Inner circles</title>
+        <circle style="fill: rgb(255, 255, 255); stroke: rgb(152, 226, 255); paint-order: fill; stroke-width: 10.3125px;" cx="254.358" cy="253.337" r="75"/>
+        <circle style="fill: rgb(212, 243, 255); stroke: rgb(99, 211, 255); paint-order: fill; stroke-width: 10.3125px;" cx="215.084" cy="54.739" r="57.5"/>
+        <circle style="stroke: rgb(78, 193, 239); fill: rgb(179, 233, 255); paint-order: fill; stroke-width: 10.3125px;" cx="63.26" cy="186.66" r="42.5"/>
+        <circle style="stroke: rgb(78, 193, 239); fill: rgb(179, 233, 255); paint-order: fill; stroke-width: 10.3125px;" cx="405.584" cy="120.172" r="42.5"/>
+        <circle style="stroke: rgb(78, 193, 239); fill: rgb(179, 233, 255); paint-order: fill; stroke-width: 10.3125px;" cx="444.253" cy="318.582" r="42.5"/>
+        <circle style="stroke: rgb(78, 193, 239); fill: rgb(179, 233, 255); paint-order: fill; stroke-width: 10.3125px;" cx="101.614" cy="385.13" r="42.5"/>
+        <circle style="fill: rgb(212, 243, 255); stroke: rgb(99, 211, 255); paint-order: fill; stroke-width: 10.3125px;" cx="291.529" cy="450.894" r="57.5"/>
+      </g>
+    </g>
+    <g transform="matrix(1, 0, 0, 1, -3.848826, -4.564161)" style="">
+      <title>Text</title>
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+        <title>diffraction</title>
+      </path>
+    </g>
+  </g>
+</svg>
\ No newline at end of file
diff --git a/docs/docs/assets/images/logo_light.svg b/docs/docs/assets/images/logo_light.svg
new file mode 100644
index 00000000..84103655
--- /dev/null
+++ b/docs/docs/assets/images/logo_light.svg
@@ -0,0 +1,41 @@
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+      <stop offset="0" style="stop-color: rgb(0, 170, 237);"/>
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+    <g transform="matrix(0.283555, 0, 0, 0.283555, 3.122751, 1.671054)">
+      <title>Logo</title>
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+        <title>Main circle</title>
+      </circle>
+      <g transform="matrix(1, 0, 0, 1, 76.243515, 77.183487)">
+        <title>Inner circles</title>
+        <circle style="fill: rgb(255, 255, 255); stroke: rgb(152, 226, 255); paint-order: fill; stroke-width: 10.3125px;" cx="254.358" cy="253.337" r="75"/>
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similarity index 100%
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similarity index 100%
rename from docs/assets/images/user-guide/data-acquisition_instrument.png
rename to docs/docs/assets/images/user-guide/data-acquisition_instrument.png
diff --git a/docs/assets/images/user-guide/data-analysis_model.png b/docs/docs/assets/images/user-guide/data-analysis_model.png
similarity index 100%
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rename to docs/docs/assets/images/user-guide/data-analysis_model.png
diff --git a/docs/assets/images/user-guide/data-analysis_refinement.png b/docs/docs/assets/images/user-guide/data-analysis_refinement.png
similarity index 100%
rename from docs/assets/images/user-guide/data-analysis_refinement.png
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diff --git a/docs/assets/images/user-guide/data-reduction_1d-pattern.png b/docs/docs/assets/images/user-guide/data-reduction_1d-pattern.png
similarity index 100%
rename from docs/assets/images/user-guide/data-reduction_1d-pattern.png
rename to docs/docs/assets/images/user-guide/data-reduction_1d-pattern.png
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new file mode 100644
index 00000000..9596ee07
--- /dev/null
+++ b/docs/docs/assets/javascripts/extra.js
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+;(function () {
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+  // Variables
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+  console.log(window.pageYOffset)
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+  // Hide-show header shadow
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+      header.classList.remove('md-header--shadow')
+    } else {
+      header.classList.add('md-header--shadow')
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+
+  // Onload
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+    toggleHeaderShadow()
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+
+  // Onscroll
+  window.onscroll = function () {
+    toggleHeaderShadow()
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new file mode 100644
index 00000000..333524ec
--- /dev/null
+++ b/docs/docs/assets/javascripts/mathjax.js
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+window.MathJax = {
+  tex: {
+    //inlineMath: [['\\(', '\\)']],
+    //displayMath: [['\\[', '\\]']],
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+    inlineMath: [
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+      ['\\(', '\\)'],
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+    // Add support for $$...$$ and \[...]\ delimiters
+    displayMath: [
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+      ['\\[', '\\]'],
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+    processEscapes: true,
+    processEnvironments: true,
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+  options: {
+    //ignoreHtmlClass: ".*|",
+    //processHtmlClass: "arithmatex"
+    // Skip code blocks only
+    skipHtmlTags: ['script', 'noscript', 'style', 'textarea', 'pre', 'code'],
+    // Only ignore explicit opt-out
+    ignoreHtmlClass: 'no-mathjax|tex2jax_ignore',
+  },
+}
+
+document$.subscribe(() => {
+  MathJax.startup.output.clearCache()
+  MathJax.typesetClear()
+  MathJax.texReset()
+  MathJax.typesetPromise()
+})
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new file mode 100644
index 00000000..a625be80
--- /dev/null
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+  --sz-code-background-color--lightmode:  #ececec;
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+  --sz-body-background-color--darkmode:   #262626;
+  --sz-body-text-color--darkmode:         #a3a3a3;
+  --sz-body-heading-color--darkmode:      #e5e5e5;
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+/****************/
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+/* Default styles https://github.com/squidfunk/mkdocs-material/blob/master/src/assets/stylesheets/main/_typeset.scss */
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+  --md-primary-fg-color:            var(--sz-body-background-color--lightmode);  /* Navigation background */
+  --md-primary-bg-color:            var(--sz-body-text-color--lightmode);        /* E.g., Header title and icons */
+  --md-primary-bg-color--light:     var(--sz-body-text-color--lightmode);        /* E.g., Header search */
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+  --md-accent-fg-color:             var(--sz-hovered-link-color--lightmode);     /* E.g., Hovered `a` elements & copy icon in code */
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+  --md-default-fg-color:            var(--sz-body-text-color--lightmode);
+  --md-default-fg-color--light:     var(--sz-body-heading-color--lightmode);     /* E.g., `h1` color & TOC viewed items & `$` in code */
+  --md-default-fg-color--lighter:   var(--sz-body-text-color--lightmode);        /* E.g., `¶` sign near `h1-h8` */
+  --md-default-fg-color--lightest:  var(--sz-body-text-color--lightmode);        /* E.g., Copy icon in code */
+  --md-default-bg-color:            var(--sz-body-background-color--lightmode);
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+  /* Code color shades */
+  --md-code-bg-color:               var(--sz-code-background-color--lightmode);
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+  /* Typeset color shades */
+  --md-typeset-color:               var(--sz-body-text-color--lightmode);
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+  /* Typeset `a` color shades */
+  --md-typeset-a-color:             var(--sz-link-color--lightmode);
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+  --md-footer-fg-color:             var(--sz-body-text-color--lightmode);        /* E.g., Next -> */
+  --md-footer-fg-color--light:      var(--sz-body-text-color--lightmode);        /* E.g., © 2022 EasyDiffraction, Material for MkDocs */
+  --md-footer-fg-color--lighter:    var(--sz-body-text-color--lightmode);        /* E.g. Made with */
+  --md-footer-bg-color:             hsla(0, 0%, 0%, 0.0);                        /* Space with, e.g., Next -> */
+  --md-footer-bg-color--dark:       hsla(0, 0%, 0%, 0.0);                        /* Space with, e.g., © 2022 EasyDiffraction */
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+  --sz-green-color:                 #4CAF50;
+  --sz-orange-color:                #FF9800;
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+  /* Primary color shades */
+  --md-primary-fg-color:            var(--sz-body-background-color--darkmode);   /* Navigation background */
+  --md-primary-bg-color:            var(--sz-body-text-color--darkmode);         /* E.g., Header title and icons */
+  --md-primary-bg-color--light:     var(--sz-body-text-color--darkmode);         /* E.g., Header search */
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+  --md-accent-fg-color:             var(--sz-hovered-link-color--darkmode);      /* E.g., Hovered `a` elements & copy icon in code */
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+  --md-default-fg-color:            var(--sz-body-text-color--darkmode);
+  --md-default-fg-color--light:     var(--sz-body-heading-color--darkmode);      /* E.g., `h1` color & TOC viewed items & `$` in code */
+  --md-default-fg-color--lighter:   var(--sz-body-text-color--darkmode);         /* E.g., `¶` sign near `h1-h8` */
+  --md-default-fg-color--lightest:  var(--sz-body-text-color--darkmode);         /* E.g., Copy icon in code */
+  --md-default-bg-color:            var(--sz-body-background-color--darkmode);
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+
+.jp-Notebook {
+  padding: 0 !important;
+  margin-top: -3em !important;
+
+  /* Ensure notebook content stretches across the page */
+  width: 100% !important;
+  max-width: 100% !important;
+
+  /* mkdocs-material + some notebook HTML end up as flex */
+  align-items: stretch !important;
+}
+
+.jp-Notebook .jp-Cell {
+  /* Key: flex children often need min-width: 0 to prevent weird shrink */
+  width: 100% !important;
+  max-width: 100% !important;
+  min-width: 0 !important;
+
+  /* Removes jupyter cell paddings */
+  padding-left: 0 !important;
+}
+
+/* Removes jupyter cell prefixes, like In[123]: */
+.prompt,
+.jp-InputPrompt,
+.jp-OutputPrompt {
+  display: none !important;
+}
+
+/* Removes jupyter output cell padding to align with input cell text */
+.jp-RenderedText {
+  padding-left: 0.85em !important;
+}
+
+/* Extra styling the panda dataframes, on top of the style included in the code */
+table.dataframe {
+  float: left;
+  margin-left: 0.75em !important;
+  margin-bottom: 0.5em !important;
+  font-size: var(--jp-code-font-size) !important;
+  color: var(--md-primary-bg-color) !important;
+  /* Allow table cell wrapping in MkDocs-Jupyter outputs */
+  /*
+  table-layout: auto !important;
+  width: auto !important;
+  */
+}
+
+/* Allow wrap for the last column */
+/*
+table.dataframe td:last-child,
+table.dataframe th:last-child {
+  white-space: normal !important;
+  word-break: break-word !important;
+}
+*/
+
+/* Custom styles for the CIF files */
+
+.cif {
+  padding-left: 1em;
+  padding-right: 1em;
+  padding-top: 1px;
+  padding-bottom: 1px;
+  background-color: var(--md-code-bg-color);
+  font-size: small;
+}
+.red {
+  color: var(--sz-red-color);
+}
+.green {
+  color: var(--sz-green-color);
+}
+.blue {
+  color: var(--sz-blue-color);
+}
+.orange {
+  color: var(--sz-orange-color);
+}
+.grey {
+  color: grey;
+}
+
+/**********/
+/* Labels */
+/**********/
+
+.label-cif {
+  padding-top: 0.5ex;
+  padding-bottom: 0.5ex;
+  padding-left: 0.9ex;
+  padding-right: 0.9ex;
+  border-radius: 1ex;
+  color: var(--md-default-fg-color) !important;
+  background-color: var(--md-code-bg-color);
+}
+
+p .label-cif, li .label-cif {
+  vertical-align: 5%;
+  font-size: 12px;
+}
+
+.label-cif:hover {
+  color: white !important;
+}
+
+.label-experiment {
+  padding-top: 0.25ex;
+  padding-bottom: 0.6ex;
+  padding-left: 0.9ex;
+  padding-right: 0.9ex;
+  border-radius: 1ex;
+  color: var(--md-default-fg-color) !important;
+  background-color: rgba(55, 189, 249, 0.1);
+}
+
+p .label-experiment, li .label-experiment {
+  vertical-align: 5%;
+  font-size: 12px;
+}
+
+h1 .label-experiment {
+  padding-top: 0.05ex;
+  padding-bottom: 0.4ex;
+  padding-left: 0.9ex;
+  padding-right: 0.9ex;
+  border-radius: 0.75ex;
+  color: var(--md-default-fg-color) !important;
+  background-color: rgba(55, 189, 249, 0.1);
+}
+
+.label-experiment:hover {
+  color: white !important;
+}
diff --git a/docs/index.md b/docs/docs/index.md
similarity index 53%
rename from docs/index.md
rename to docs/docs/index.md
index a34d3023..73c35423 100644
--- a/docs/index.md
+++ b/docs/docs/index.md
@@ -4,17 +4,18 @@
 
 Here is a brief overview of the main documentation sections:
 
-- [:material-information-slab-circle: Introduction](introduction/index.md) –
-  Provides an overview of EasyDiffraction, including its purpose, licensing,
-  latest release details, and contact information.
-- [:material-cog-box: Installation & Setup](installation-and-setup/index.md) –
-  Guides users through system requirements, environment configuration, and the
-  installation process.
-- [:material-book-open-variant: User Guide](user-guide/index.md) – Covers core
-  concepts, key terminology, workflow steps, and essential parameters for
-  effective use of EasyDiffraction.
+- [:material-information-slab-circle: Introduction](introduction/index.md)
+  – Provides an overview of EasyDiffraction, including its purpose,
+  licensing, latest release details, and contact information.
+- [:material-cog-box: Installation & Setup](installation-and-setup/index.md)
+  – Guides users through system requirements, environment configuration,
+  and the installation process.
+- [:material-book-open-variant: User Guide](user-guide/index.md) –
+  Covers core concepts, key terminology, workflow steps, and essential
+  parameters for effective use of EasyDiffraction.
 - [:material-school: Tutorials](tutorials/index.md) – Offers practical,
-  step-by-step examples demonstrating common workflows and data analysis tasks.
-- [:material-code-braces-box: API Reference](api-reference/index.md) – An
-  auto-generated reference detailing the available functions and modules in
-  EasyDiffraction.
+  step-by-step examples demonstrating common workflows and data analysis
+  tasks.
+- [:material-code-braces-box: API Reference](api-reference/index.md) –
+  An auto-generated reference detailing the available functions and
+  modules in EasyDiffraction.
diff --git a/docs/installation-and-setup/index.md b/docs/docs/installation-and-setup/index.md
similarity index 80%
rename from docs/installation-and-setup/index.md
rename to docs/docs/installation-and-setup/index.md
index 80b64235..0891a55f 100644
--- a/docs/installation-and-setup/index.md
+++ b/docs/docs/installation-and-setup/index.md
@@ -6,16 +6,16 @@ icon: material/cog-box
 
 ## Requirements
 
-EasyDiffraction is a cross-platform Python library compatible with **Python 3.11
-through 3.13**.  
+EasyDiffraction is a cross-platform Python library compatible with
+**Python 3.11 through 3.13**.  
 Make sure Python is installed on your system before proceeding with the
 installation.
 
 ## Environment Setup <small>optional</small> { #environment-setup data-toc-label="Environment Setup" }
 
-We recommend using a **virtual environment** to isolate dependencies and avoid
-conflicts with system-wide packages. If any issues arise, you can simply delete
-and recreate the environment.
+We recommend using a **virtual environment** to isolate dependencies and
+avoid conflicts with system-wide packages. If any issues arise, you can
+simply delete and recreate the environment.
 
 #### Creating and Activating a Virtual Environment:
 
@@ -76,22 +76,23 @@ and recreate the environment.
 
 ### Installing from PyPI <small>recommended</small> { #from-pypi data-toc-label="Installing from PyPI" }
 
-EasyDiffraction is available on **PyPI (Python Package Index)** and can be
-installed using `pip`. We strongly recommend installing it within a virtual
-environment, as described in the [Environment Setup](#environment-setup)
-section.
+EasyDiffraction is available on **PyPI (Python Package Index)** and can
+be installed using `pip`. We strongly recommend installing it within a
+virtual environment, as described in the
+[Environment Setup](#environment-setup) section.
 
 We recommend installing the latest release of EasyDiffraction with the
-`visualization` extras, which include optional dependencies used for simplified
-visualization of charts and tables. This can be especially useful for running
-the Jupyter Notebook examples. To do so, use the following command:
+`visualization` extras, which include optional dependencies used for
+simplified visualization of charts and tables. This can be especially
+useful for running the Jupyter Notebook examples. To do so, use the
+following command:
 
 ```bash
 pip install 'easydiffraction[visualization]'
 ```
 
-If only the core functionality is needed, the library can be installed simply
-with:
+If only the core functionality is needed, the library can be installed
+simply with:
 
 ```bash
 pip install easydiffraction
@@ -117,8 +118,8 @@ pip show easydiffraction
 
 ### Installing from GitHub
 
-Installing unreleased versions is generally not recommended but may be useful
-for testing.
+Installing unreleased versions is generally not recommended but may be
+useful for testing.
 
 To install EasyDiffraction from, e.g., the `develop` branch of GitHub:
 
@@ -134,18 +135,20 @@ pip install 'easydiffraction[visualization] @ git+https://github.com/easyscience
 
 ## How to Run Tutorials
 
-EasyDiffraction includes a collection of **Jupyter Notebook examples** that
-demonstrate key functionality. These tutorials serve as **step-by-step guides**
-to help users understand the diffraction data analysis workflow.
+EasyDiffraction includes a collection of **Jupyter Notebook examples**
+that demonstrate key functionality. These tutorials serve as
+**step-by-step guides** to help users understand the diffraction data
+analysis workflow.
 
 They are available as **static HTML pages** in the
-[:material-school: Tutorials](../tutorials/index.md) section. You can also run
-them interactively in two ways:
+[:material-school: Tutorials](../tutorials/index.md) section. You can
+also run them interactively in two ways:
 
 - **Run Locally** – Download the notebook via the :material-download:
   **Download** button and run it on your computer.
-- **Run Online** – Use the :google-colab: **Open in Google Colab** button to run
-  the tutorial directly in your browser (no setup required).
+- **Run Online** – Use the :google-colab: **Open in Google Colab**
+  button to run the tutorial directly in your browser (no setup
+  required).
 
 !!! note
 
@@ -154,8 +157,9 @@ them interactively in two ways:
 
 ### Run Tutorials Locally
 
-To run tutorials locally, install **Jupyter Notebook** or **JupyterLab**. Here
-are the steps to follow in the case of **Jupyter Notebook**:
+To run tutorials locally, install **Jupyter Notebook** or
+**JupyterLab**. Here are the steps to follow in the case of **Jupyter
+Notebook**:
 
 - Install Jupyter Notebook and IPython kernel:
   ```bash
@@ -177,32 +181,34 @@ are the steps to follow in the case of **Jupyter Notebook**:
   ```bash
   http://localhost:8888/
   ```
-- Open one of the `*.ipynb` files and select the `EasyDiffraction Python kernel`
-  to get started.
+- Open one of the `*.ipynb` files and select the
+  `EasyDiffraction Python kernel` to get started.
 
 ### Run Tutorials via Google Colab
 
-**Google Colab** lets you run Jupyter Notebooks in the cloud without any local
-installation.
+**Google Colab** lets you run Jupyter Notebooks in the cloud without any
+local installation.
 
 To use Google Colab:
 
 - Ensure you have a **Google account**.
-- Go to the **[:material-school: Tutorials](../tutorials/index.md)** section.
-- Click the :google-colab: **Open in Google Colab** button on any tutorial.
+- Go to the **[:material-school: Tutorials](../tutorials/index.md)**
+  section.
+- Click the :google-colab: **Open in Google Colab** button on any
+  tutorial.
 
-This is the fastest way to start experimenting with EasyDiffraction, without
-setting up Python on your system.
+This is the fastest way to start experimenting with EasyDiffraction,
+without setting up Python on your system.
 
 ## Installing with Pixi <small>alternative</small> { #installing-with-pixi data-toc-label="Installing with Pixi" }
 
-[Pixi](https://pixi.sh) is a modern package and environment manager for Python
-and Conda-compatible packages. It simplifies dependency management, environment
-isolation, and reproducibility.
+[Pixi](https://pixi.sh) is a modern package and environment manager for
+Python and Conda-compatible packages. It simplifies dependency
+management, environment isolation, and reproducibility.
 
 The following simple steps provide an alternative setup method for
-EasyDiffraction using Pixi, replacing the traditional virtual environment
-approach.
+EasyDiffraction using Pixi, replacing the traditional virtual
+environment approach.
 
 <!-- prettier-ignore-start -->
 
diff --git a/docs/introduction/index.md b/docs/docs/introduction/index.md
similarity index 90%
rename from docs/introduction/index.md
rename to docs/docs/introduction/index.md
index 2996386b..a2b42b59 100644
--- a/docs/introduction/index.md
+++ b/docs/docs/introduction/index.md
@@ -8,21 +8,22 @@ icon: material/information-slab-circle
 
 **EasyDiffraction** is scientific software for calculating diffraction
 patterns  
-based on structural models and refining model parameters against experimental
-data.
+based on structural models and refining model parameters against
+experimental data.
 
-It is available as both a cross-platform desktop application and a Python
-library.
+It is available as both a cross-platform desktop application and a
+Python library.
 
-This documentation covers the usage of the EasyDiffraction Python library.  
+This documentation covers the usage of the EasyDiffraction Python
+library.  
 For the graphical user interface (GUI) version, refer to the
 [GUI documentation](https://docs.easydiffraction.org/app).
 
 ## EasyScience
 
 EasyDiffraction is developed using the
-[EasyScience framework](https://easyscience.software), which provides tools
-for  
+[EasyScience framework](https://easyscience.software), which provides
+tools for  
 building modular and flexible scientific libraries and applications.
 
 ## License
@@ -35,27 +36,28 @@ EasyDiffraction is released under the
 The latest version of the EasyDiffraction Python library is
 [{{ vars.release_version }}](https://github.com/easyscience/diffraction-lib/releases/latest).
 
-For a complete list of new features, bug fixes, and improvements, see the
+For a complete list of new features, bug fixes, and improvements, see
+the
 [GitHub Releases page](https://github.com/easyscience/diffraction-lib/releases).
 
 ## Citation
 
-If you use EasyDiffraction in your work, please cite the specific version you
-used.
+If you use EasyDiffraction in your work, please cite the specific
+version you used.
 
 All official releases of the EasyDiffraction library are archived on  
 Zenodo, each with a version-specific Digital Object Identifier (DOI).
 
-Citation details in various styles (e.g., APA, MLA) and formats (e.g., BibTeX,
-JSON)  
+Citation details in various styles (e.g., APA, MLA) and formats (e.g.,
+BibTeX, JSON)  
 are available on the
 [Zenodo archive page](https://doi.org/10.5281/zenodo.16806521).
 
 ## Contributing
 
-We welcome contributions from the community! EasyDiffraction is intended to be a
-community-driven, open-source project supported by a diverse group of
-contributors.
+We welcome contributions from the community! EasyDiffraction is intended
+to be a community-driven, open-source project supported by a diverse
+group of contributors.
 
 The project is maintained by the
 [European Spallation Source (ESS)](https://ess.eu).
diff --git a/docs/docs/tutorials/ed-1.ipynb b/docs/docs/tutorials/ed-1.ipynb
new file mode 100644
index 00000000..9b46deb0
--- /dev/null
+++ b/docs/docs/tutorials/ed-1.ipynb
@@ -0,0 +1,203 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: LBCO, HRPT\n",
+    "\n",
+    "This minimalistic example is designed to show how Rietveld refinement\n",
+    "can be performed when both the crystal structure and experiment\n",
+    "parameters are defined using CIF files.\n",
+    "\n",
+    "For this example, constant-wavelength neutron powder diffraction data\n",
+    "for La0.5Ba0.5CoO3 from HRPT at PSI is used.\n",
+    "\n",
+    "It does not contain any advanced features or options, and includes no\n",
+    "comments or explanations—these can be found in the other tutorials.\n",
+    "Default values are used for all parameters if not specified. Only\n",
+    "essential and self-explanatory code is provided.\n",
+    "\n",
+    "The example is intended for users who are already familiar with the\n",
+    "EasyDiffraction library and want to quickly get started with a simple\n",
+    "refinement. It is also useful for those who want to see what a\n",
+    "refinement might look like in code. For a more detailed explanation of\n",
+    "the code, please refer to the other tutorials."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Step 1: Define Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Create minimal project without name and description\n",
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Step 2: Define Crystal Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Download CIF file from repository\n",
+    "structure_path = ed.download_data(id=1, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add_from_cif_path(structure_path)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8",
+   "metadata": {},
+   "source": [
+    "## Step 3: Define Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Download CIF file from repository\n",
+    "expt_path = ed.download_data(id=2, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_cif_path(expt_path)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Step 4: Perform Analysis"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Start refinement. All parameters, which have standard uncertainties\n",
+    "# in the input CIF files, are refined by default.\n",
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Show fit results summary\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.show_names()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "16",
+   "metadata": {},
+   "source": [
+    "## Step 5: Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "17",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-1.py b/docs/docs/tutorials/ed-1.py
similarity index 84%
rename from tutorials/ed-1.py
rename to docs/docs/tutorials/ed-1.py
index 38bacfda..51e4e8e6 100644
--- a/tutorials/ed-1.py
+++ b/docs/docs/tutorials/ed-1.py
@@ -2,8 +2,8 @@
 # # Structure Refinement: LBCO, HRPT
 #
 # This minimalistic example is designed to show how Rietveld refinement
-# of a crystal structure can be performed when both the sample model and
-# experiment are defined using CIF files.
+# can be performed when both the crystal structure and experiment
+# parameters are defined using CIF files.
 #
 # For this example, constant-wavelength neutron powder diffraction data
 # for La0.5Ba0.5CoO3 from HRPT at PSI is used.
@@ -33,14 +33,14 @@
 project = ed.Project()
 
 # %% [markdown]
-# ## Step 2: Define Sample Model
+# ## Step 2: Define Crystal Structure
 
 # %%
 # Download CIF file from repository
-model_path = ed.download_data(id=1, destination='data')
+structure_path = ed.download_data(id=1, destination='data')
 
 # %%
-project.sample_models.add(cif_path=model_path)
+project.structures.add_from_cif_path(structure_path)
 
 # %% [markdown]
 # ## Step 3: Define Experiment
@@ -50,7 +50,7 @@
 expt_path = ed.download_data(id=2, destination='data')
 
 # %%
-project.experiments.add(cif_path=expt_path)
+project.experiments.add_from_cif_path(expt_path)
 
 # %% [markdown]
 # ## Step 4: Perform Analysis
diff --git a/docs/docs/tutorials/ed-10.ipynb b/docs/docs/tutorials/ed-10.ipynb
new file mode 100644
index 00000000..d6596816
--- /dev/null
+++ b/docs/docs/tutorials/ed-10.ipynb
@@ -0,0 +1,222 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Pair Distribution Function: Ni, NPD\n",
+    "\n",
+    "This example demonstrates a pair distribution function (PDF) analysis\n",
+    "of Ni, based on data collected from a constant wavelength neutron\n",
+    "powder diffraction experiment.\n",
+    "\n",
+    "The dataset is taken from:\n",
+    "https://github.com/diffpy/cmi_exchange/tree/main/cmi_scripts/fitNiPDF"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.create(name='ni')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['ni'].space_group.name_h_m = 'F m -3 m'\n",
+    "project.structures['ni'].space_group.it_coordinate_system_code = '1'\n",
+    "project.structures['ni'].cell.length_a = 3.52387\n",
+    "project.structures['ni'].atom_sites.create(\n",
+    "    label='Ni',\n",
+    "    type_symbol='Ni',\n",
+    "    fract_x=0.0,\n",
+    "    fract_y=0.0,\n",
+    "    fract_z=0.0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8",
+   "metadata": {},
+   "source": [
+    "## Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=6, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='pdf',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='neutron',\n",
+    "    scattering_type='total',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "11",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['pdf'].linked_phases.create(id='ni', scale=1.0)\n",
+    "project.experiments['pdf'].peak.damp_q = 0\n",
+    "project.experiments['pdf'].peak.broad_q = 0.03\n",
+    "project.experiments['pdf'].peak.cutoff_q = 27.0\n",
+    "project.experiments['pdf'].peak.sharp_delta_1 = 0.0\n",
+    "project.experiments['pdf'].peak.sharp_delta_2 = 2.0\n",
+    "project.experiments['pdf'].peak.damp_particle_diameter = 0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "12",
+   "metadata": {},
+   "source": [
+    "## Select Fitting Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['ni'].cell.length_a.free = True\n",
+    "project.structures['ni'].atom_sites['Ni'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['pdf'].linked_phases['ni'].scale.free = True\n",
+    "project.experiments['pdf'].peak.broad_q.free = True\n",
+    "project.experiments['pdf'].peak.sharp_delta_2.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "## Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='pdf', show_residual=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-10.py b/docs/docs/tutorials/ed-10.py
similarity index 75%
rename from tutorials/ed-10.py
rename to docs/docs/tutorials/ed-10.py
index f3253429..1cad89ab 100644
--- a/tutorials/ed-10.py
+++ b/docs/docs/tutorials/ed-10.py
@@ -21,16 +21,16 @@
 project = ed.Project()
 
 # %% [markdown]
-# ## Add Sample Model
+# ## Add Structure
 
 # %%
-project.sample_models.add(name='ni')
+project.structures.create(name='ni')
 
 # %%
-project.sample_models['ni'].space_group.name_h_m = 'F m -3 m'
-project.sample_models['ni'].space_group.it_coordinate_system_code = '1'
-project.sample_models['ni'].cell.length_a = 3.52387
-project.sample_models['ni'].atom_sites.add(
+project.structures['ni'].space_group.name_h_m = 'F m -3 m'
+project.structures['ni'].space_group.it_coordinate_system_code = '1'
+project.structures['ni'].cell.length_a = 3.52387
+project.structures['ni'].atom_sites.create(
     label='Ni',
     type_symbol='Ni',
     fract_x=0.0,
@@ -47,7 +47,7 @@
 data_path = ed.download_data(id=6, destination='data')
 
 # %%
-project.experiments.add(
+project.experiments.add_from_data_path(
     name='pdf',
     data_path=data_path,
     sample_form='powder',
@@ -57,7 +57,7 @@
 )
 
 # %%
-project.experiments['pdf'].linked_phases.add(id='ni', scale=1.0)
+project.experiments['pdf'].linked_phases.create(id='ni', scale=1.0)
 project.experiments['pdf'].peak.damp_q = 0
 project.experiments['pdf'].peak.broad_q = 0.03
 project.experiments['pdf'].peak.cutoff_q = 27.0
@@ -69,8 +69,8 @@
 # ## Select Fitting Parameters
 
 # %%
-project.sample_models['ni'].cell.length_a.free = True
-project.sample_models['ni'].atom_sites['Ni'].b_iso.free = True
+project.structures['ni'].cell.length_a.free = True
+project.structures['ni'].atom_sites['Ni'].b_iso.free = True
 
 # %%
 project.experiments['pdf'].linked_phases['ni'].scale.free = True
@@ -81,7 +81,6 @@
 # ## Run Fitting
 
 # %%
-project.analysis.current_calculator = 'pdffit'
 project.analysis.fit()
 project.analysis.show_fit_results()
 
diff --git a/docs/docs/tutorials/ed-11.ipynb b/docs/docs/tutorials/ed-11.ipynb
new file mode 100644
index 00000000..ddacaac7
--- /dev/null
+++ b/docs/docs/tutorials/ed-11.ipynb
@@ -0,0 +1,254 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Pair Distribution Function: Si, NPD\n",
+    "\n",
+    "This example demonstrates a pair distribution function (PDF) analysis\n",
+    "of Si, based on data collected from a time-of-flight neutron powder\n",
+    "diffraction experiment at NOMAD at SNS."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Set Plotting Engine"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Set global plot range for plots\n",
+    "project.plotter.x_max = 40"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8",
+   "metadata": {},
+   "source": [
+    "## Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.create(name='si')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = project.structures['si']\n",
+    "structure.space_group.name_h_m.value = 'F d -3 m'\n",
+    "structure.space_group.it_coordinate_system_code = '1'\n",
+    "structure.cell.length_a = 5.43146\n",
+    "structure.atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=5, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='nomad',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='time-of-flight',\n",
+    "    radiation_probe='neutron',\n",
+    "    scattering_type='total',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = project.experiments['nomad']\n",
+    "experiment.linked_phases.create(id='si', scale=1.0)\n",
+    "experiment.peak.damp_q = 0.02\n",
+    "experiment.peak.broad_q = 0.03\n",
+    "experiment.peak.cutoff_q = 35.0\n",
+    "experiment.peak.sharp_delta_1 = 0.0\n",
+    "experiment.peak.sharp_delta_2 = 4.0\n",
+    "experiment.peak.damp_particle_diameter = 0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## Select Fitting Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['si'].cell.length_a.free = True\n",
+    "project.structures['si'].atom_sites['Si'].b_iso.free = True\n",
+    "experiment.linked_phases['si'].scale.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "17",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.peak.damp_q.free = True\n",
+    "experiment.peak.broad_q.free = True\n",
+    "experiment.peak.sharp_delta_1.free = True\n",
+    "experiment.peak.sharp_delta_2.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "18",
+   "metadata": {},
+   "source": [
+    "## Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "19",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "20",
+   "metadata": {},
+   "source": [
+    "## Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='nomad', show_residual=False)"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-11.py b/docs/docs/tutorials/ed-11.py
similarity index 77%
rename from tutorials/ed-11.py
rename to docs/docs/tutorials/ed-11.py
index 4a5b3176..a16dbec7 100644
--- a/tutorials/ed-11.py
+++ b/docs/docs/tutorials/ed-11.py
@@ -30,17 +30,17 @@
 project.plotter.x_max = 40
 
 # %% [markdown]
-# ## Add Sample Model
+# ## Add Structure
 
 # %%
-project.sample_models.add(name='si')
+project.structures.create(name='si')
 
 # %%
-sample_model = project.sample_models['si']
-sample_model.space_group.name_h_m.value = 'F d -3 m'
-sample_model.space_group.it_coordinate_system_code = '1'
-sample_model.cell.length_a = 5.43146
-sample_model.atom_sites.add(
+structure = project.structures['si']
+structure.space_group.name_h_m.value = 'F d -3 m'
+structure.space_group.it_coordinate_system_code = '1'
+structure.cell.length_a = 5.43146
+structure.atom_sites.create(
     label='Si',
     type_symbol='Si',
     fract_x=0,
@@ -57,7 +57,7 @@
 data_path = ed.download_data(id=5, destination='data')
 
 # %%
-project.experiments.add(
+project.experiments.add_from_data_path(
     name='nomad',
     data_path=data_path,
     sample_form='powder',
@@ -68,7 +68,7 @@
 
 # %%
 experiment = project.experiments['nomad']
-experiment.linked_phases.add(id='si', scale=1.0)
+experiment.linked_phases.create(id='si', scale=1.0)
 experiment.peak.damp_q = 0.02
 experiment.peak.broad_q = 0.03
 experiment.peak.cutoff_q = 35.0
@@ -80,8 +80,8 @@
 # ## Select Fitting Parameters
 
 # %%
-project.sample_models['si'].cell.length_a.free = True
-project.sample_models['si'].atom_sites['Si'].b_iso.free = True
+project.structures['si'].cell.length_a.free = True
+project.structures['si'].atom_sites['Si'].b_iso.free = True
 experiment.linked_phases['si'].scale.free = True
 
 # %%
@@ -94,7 +94,6 @@
 # ## Run Fitting
 
 # %%
-project.analysis.current_calculator = 'pdffit'
 project.analysis.fit()
 project.analysis.show_fit_results()
 
diff --git a/docs/docs/tutorials/ed-12.ipynb b/docs/docs/tutorials/ed-12.ipynb
new file mode 100644
index 00000000..a6394390
--- /dev/null
+++ b/docs/docs/tutorials/ed-12.ipynb
@@ -0,0 +1,303 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Pair Distribution Function: NaCl, XRD\n",
+    "\n",
+    "This example demonstrates a pair distribution function (PDF) analysis\n",
+    "of NaCl, based on data collected from an X-ray powder diffraction\n",
+    "experiment.\n",
+    "\n",
+    "The dataset is taken from:\n",
+    "https://github.com/diffpy/add2019-diffpy-cmi/tree/master"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Set Plotting Engine"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Set global plot range for plots\n",
+    "project.plotter.x_min = 2.0\n",
+    "project.plotter.x_max = 30.0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8",
+   "metadata": {},
+   "source": [
+    "## Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.create(name='nacl')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['nacl'].space_group.name_h_m = 'F m -3 m'\n",
+    "project.structures['nacl'].space_group.it_coordinate_system_code = '1'\n",
+    "project.structures['nacl'].cell.length_a = 5.62\n",
+    "project.structures['nacl'].atom_sites.create(\n",
+    "    label='Na',\n",
+    "    type_symbol='Na',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=1.0,\n",
+    ")\n",
+    "project.structures['nacl'].atom_sites.create(\n",
+    "    label='Cl',\n",
+    "    type_symbol='Cl',\n",
+    "    fract_x=0.5,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=1.0,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=4, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='xray_pdf',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='xray',\n",
+    "    scattering_type='total',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['xray_pdf'].show_supported_peak_profile_types()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['xray_pdf'].show_current_peak_profile_type()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['xray_pdf'].peak_profile_type = 'gaussian-damped-sinc'"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "17",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['xray_pdf'].peak.damp_q = 0.03\n",
+    "project.experiments['xray_pdf'].peak.broad_q = 0\n",
+    "project.experiments['xray_pdf'].peak.cutoff_q = 21\n",
+    "project.experiments['xray_pdf'].peak.sharp_delta_1 = 0\n",
+    "project.experiments['xray_pdf'].peak.sharp_delta_2 = 5\n",
+    "project.experiments['xray_pdf'].peak.damp_particle_diameter = 0"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['xray_pdf'].linked_phases.create(id='nacl', scale=0.5)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "## Select Fitting Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['nacl'].cell.length_a.free = True\n",
+    "project.structures['nacl'].atom_sites['Na'].b_iso.free = True\n",
+    "project.structures['nacl'].atom_sites['Cl'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['xray_pdf'].linked_phases['nacl'].scale.free = True\n",
+    "project.experiments['xray_pdf'].peak.damp_q.free = True\n",
+    "project.experiments['xray_pdf'].peak.sharp_delta_2.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "22",
+   "metadata": {},
+   "source": [
+    "## Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "24",
+   "metadata": {},
+   "source": [
+    "## Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='xray_pdf')"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-12.py b/docs/docs/tutorials/ed-12.py
similarity index 77%
rename from tutorials/ed-12.py
rename to docs/docs/tutorials/ed-12.py
index c40cc5ad..b6701709 100644
--- a/tutorials/ed-12.py
+++ b/docs/docs/tutorials/ed-12.py
@@ -34,16 +34,16 @@
 project.plotter.x_max = 30.0
 
 # %% [markdown]
-# ## Add Sample Model
+# ## Add Structure
 
 # %%
-project.sample_models.add(name='nacl')
+project.structures.create(name='nacl')
 
 # %%
-project.sample_models['nacl'].space_group.name_h_m = 'F m -3 m'
-project.sample_models['nacl'].space_group.it_coordinate_system_code = '1'
-project.sample_models['nacl'].cell.length_a = 5.62
-project.sample_models['nacl'].atom_sites.add(
+project.structures['nacl'].space_group.name_h_m = 'F m -3 m'
+project.structures['nacl'].space_group.it_coordinate_system_code = '1'
+project.structures['nacl'].cell.length_a = 5.62
+project.structures['nacl'].atom_sites.create(
     label='Na',
     type_symbol='Na',
     fract_x=0,
@@ -52,7 +52,7 @@
     wyckoff_letter='a',
     b_iso=1.0,
 )
-project.sample_models['nacl'].atom_sites.add(
+project.structures['nacl'].atom_sites.create(
     label='Cl',
     type_symbol='Cl',
     fract_x=0.5,
@@ -69,7 +69,7 @@
 data_path = ed.download_data(id=4, destination='data')
 
 # %%
-project.experiments.add(
+project.experiments.add_from_data_path(
     name='xray_pdf',
     data_path=data_path,
     sample_form='powder',
@@ -96,15 +96,15 @@
 project.experiments['xray_pdf'].peak.damp_particle_diameter = 0
 
 # %%
-project.experiments['xray_pdf'].linked_phases.add(id='nacl', scale=0.5)
+project.experiments['xray_pdf'].linked_phases.create(id='nacl', scale=0.5)
 
 # %% [markdown]
 # ## Select Fitting Parameters
 
 # %%
-project.sample_models['nacl'].cell.length_a.free = True
-project.sample_models['nacl'].atom_sites['Na'].b_iso.free = True
-project.sample_models['nacl'].atom_sites['Cl'].b_iso.free = True
+project.structures['nacl'].cell.length_a.free = True
+project.structures['nacl'].atom_sites['Na'].b_iso.free = True
+project.structures['nacl'].atom_sites['Cl'].b_iso.free = True
 
 # %%
 project.experiments['xray_pdf'].linked_phases['nacl'].scale.free = True
@@ -115,7 +115,6 @@
 # ## Run Fitting
 
 # %%
-project.analysis.current_calculator = 'pdffit'
 project.analysis.fit()
 project.analysis.show_fit_results()
 
diff --git a/docs/docs/tutorials/ed-13.ipynb b/docs/docs/tutorials/ed-13.ipynb
new file mode 100644
index 00000000..a31467a1
--- /dev/null
+++ b/docs/docs/tutorials/ed-13.ipynb
@@ -0,0 +1,2923 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Fitting Powder Diffraction data\n",
+    "\n",
+    "This notebook guides you through the Rietveld refinement of crystal\n",
+    "structures using simulated powder diffraction data. It consists of two\n",
+    "parts:\n",
+    "- Introduction: A simple reference fit using silicon (Si) crystal\n",
+    "  structure.\n",
+    "- Exercise: A more complex fit using La₀.₅Ba₀.₅CoO₃ (LBCO) crystal\n",
+    "  structure.\n",
+    "\n",
+    "## 🛠️ Import Library\n",
+    "\n",
+    "We start by importing the necessary library for the analysis. In this\n",
+    "notebook, we use the EasyDiffraction library. As mentioned in the\n",
+    "introduction to EasyScience, EasyDiffraction is built on that\n",
+    "framework and offers a high-level interface focused specifically for\n",
+    "diffraction analysis.\n",
+    "\n",
+    "This notebook is self-contained and designed for hands-on learning.\n",
+    "However, if you're interested in exploring more advanced features or\n",
+    "learning about additional capabilities of the EasyDiffraction library,\n",
+    "please refer to the official documentation:\n",
+    "https://docs.easydiffraction.org/lib\n",
+    "\n",
+    "Depending on your requirements, you may choose to import only specific\n",
+    "classes. However, for the sake of simplicity in this notebook, we will\n",
+    "import the entire library."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/first-steps/#importing-easydiffraction)\n",
+    "for more details about importing the EasyDiffraction library and its\n",
+    "components."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## 📘 Introduction: Simple Reference Fit – Si\n",
+    "\n",
+    "Before diving into the more complex fitting exercise with the\n",
+    "La₀.₅Ba₀.₅CoO₃ (LBCO) crystal structure, let's start with a simpler\n",
+    "example using the silicon (Si) crystal structure. This will help us\n",
+    "understand the basic concepts and steps involved in fitting a crystal\n",
+    "structure using powder diffraction data.\n",
+    "\n",
+    "For this part of the notebook, we will use the powder diffraction data\n",
+    "previously simulated using the Si crystal structure.\n",
+    "\n",
+    "### 📦 Create a Project – 'reference'\n",
+    "\n",
+    "In EasyDiffraction, a project serves as a container for all\n",
+    "information related to the analysis of a specific experiment or set of\n",
+    "experiments. It enables you to organize your data, experiments,\n",
+    "crystal structures, and fitting parameters in an organized manner. You\n",
+    "can think of it as a folder containing all the essential details about\n",
+    "your analysis. The project also allows us to visualize both the\n",
+    "measured and calculated diffraction patterns, among other things."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "4",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/project/)\n",
+    "for more details about creating a project and its purpose in the\n",
+    "analysis workflow."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "5",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1 = ed.Project(name='reference')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "6",
+   "metadata": {},
+   "source": [
+    "You can set the title and description of the project to provide\n",
+    "context and information about the analysis being performed. This is\n",
+    "useful for documentation purposes and helps others (or yourself in the\n",
+    "future) understand the purpose of the project at a glance."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.info.title = 'Reference Silicon Fit'\n",
+    "project_1.info.description = 'Fitting simulated powder diffraction pattern of Si.'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8",
+   "metadata": {},
+   "source": [
+    "### 🔬 Create an Experiment\n",
+    "\n",
+    "An experiment represents a specific diffraction measurement performed\n",
+    "on a specific sample using a particular instrument. It contains\n",
+    "details about the measured data, instrument parameters, and other\n",
+    "relevant information."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/)\n",
+    "for more details about experiments and their purpose in the analysis\n",
+    "workflow."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_dir = 'data'\n",
+    "file_name = 'reduced_Si.xye'\n",
+    "si_xye_path = f'{data_dir}/{file_name}'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "Uncomment the following cell if your data reduction failed and the\n",
+    "reduced data file is missing. In this case, you can download our\n",
+    "pre-generated reduced data file from the EasyDiffraction repository.\n",
+    "The `download_data` function will not overwrite an existing file\n",
+    "unless you set `overwrite=True`, so it's safe to run even if the\n",
+    "file is already present."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "si_xye_path = ed.download_data(id=17, destination=data_dir)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "Now we can create the experiment and load the measured data. In this\n",
+    "case, the experiment is defined as a powder diffraction measurement\n",
+    "using time-of-flight neutrons. The measured data is loaded from a file\n",
+    "containing the reduced diffraction pattern of Si from the data\n",
+    "reduction notebook."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "14",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#defining-an-experiment-manually)\n",
+    "for more details about different types of experiments."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments.add_from_data_path(\n",
+    "    name='sim_si',\n",
+    "    data_path=si_xye_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='time-of-flight',\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "16",
+   "metadata": {},
+   "source": [
+    "#### Inspect Measured Data\n",
+    "\n",
+    "After creating the experiment, we can examine the measured data. The\n",
+    "measured data consists of a diffraction pattern having time-of-flight\n",
+    "(TOF) values and corresponding intensities. The TOF values are given\n",
+    "in microseconds (μs), and the intensities are in arbitrary units.\n",
+    "\n",
+    "The data is stored in XYE format, a simple text format containing\n",
+    "three columns: TOF, intensity, and intensity error (if available)."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#measured-data-category)\n",
+    "for more details about the measured data and its format.\n",
+    "\n",
+    "To visualize the measured data, we can use the `plot_meas` method of\n",
+    "the project. Before plotting, we need to set the plotting engine to\n",
+    "'plotly', which provides interactive visualizations."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "18",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://easyscience.github.io/diffraction-lib/user-guide/first-steps/#supported-plotters)\n",
+    "for more details about setting the plotting engine."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "19",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.plot_meas(expt_name='sim_si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "If you zoom in on the highest TOF peak (around 120,000 μs), you will\n",
+    "notice that it has a broad and unusual shape. This distortion, along\n",
+    "with additional effects on the low TOF peaks, is most likely an\n",
+    "artifact related to the simplifications made during the simulation\n",
+    "and/or reduction process and is currently under investigation.\n",
+    "However, this is outside the scope of this school. Therefore, we will\n",
+    "simply exclude both the low and high TOF regions from the analysis by\n",
+    "adding an excluded regions to the experiment.\n",
+    "\n",
+    "In real experiments, it is often necessary to exclude certain regions\n",
+    "from the measured data. For example, the direct beam can significantly\n",
+    "increase the background at very low angles, making those parts of the\n",
+    "diffractogram unreliable. Additionally, sample environment components\n",
+    "may introduce unwanted peaks. In such cases, excluding specific\n",
+    "regions is often simpler and more effective than modeling them with an\n",
+    "additional sample phase."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "22",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#excluded-regions-category)\n",
+    "for more details about excluding regions from the measured data."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments['sim_si'].excluded_regions.create(id='1', start=0, end=55000)\n",
+    "project_1.experiments['sim_si'].excluded_regions.create(id='2', start=105500, end=200000)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "24",
+   "metadata": {},
+   "source": [
+    "To visualize the effect of excluding the high TOF region, we can plot\n",
+    "the measured data again. The excluded region will be omitted from the\n",
+    "plot and is not used in the fitting process."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.plot_meas(expt_name='sim_si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "26",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument Parameters\n",
+    "\n",
+    "After the experiment is created and measured data is loaded, we need\n",
+    "to set the instrument parameters.\n",
+    "\n",
+    "In this type of experiment, the instrument parameters define how the\n",
+    "measured data is converted between d-spacing and time-of-flight (TOF)\n",
+    "during the data reduction process as well as the angular position of\n",
+    "the detector. So, we put values based on those from the reduction.\n",
+    "These values can be found in the header of the corresponding .XYE\n",
+    "file. Their names are `two_theta` and `DIFC`, which stand for the\n",
+    "two-theta angle and the linear conversion factor from d-spacing to\n",
+    "TOF, respectively.\n",
+    "\n",
+    "You can set them manually, but it is more convenient to use the\n",
+    "`extract_metadata` function from the EasyDiffraction library."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#instrument-category)\n",
+    "for more details about the instrument parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments['sim_si'].instrument.setup_twotheta_bank = ed.extract_metadata(\n",
+    "    si_xye_path, r'two_theta\\s*=\\s*([-+]?\\d*\\.?\\d+(?:[eE][-+]?\\d+)?)'\n",
+    ")\n",
+    "project_1.experiments['sim_si'].instrument.calib_d_to_tof_linear = ed.extract_metadata(\n",
+    "    si_xye_path, r'DIFC\\s*=\\s*([-+]?\\d*\\.?\\d+(?:[eE][-+]?\\d+)?)'\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "Before proceeding, let's take a quick look at the concept of\n",
+    "parameters in EasyDiffraction, which is similar to the parameter\n",
+    "concept in EasyScience. The current version of EasyDiffraction is\n",
+    "transitioning to reuse the parameter system from EasyScience.\n",
+    "\n",
+    "That is, every parameter is an object, which has different attributes,\n",
+    "such as `value`, `units`, etc. To display the parameter of interest,\n",
+    "you can simply print the parameter object.\n",
+    "\n",
+    "For example, to display the linear conversion factor from d-spacing to\n",
+    "TOF, which is the `calib_d_to_tof_linear` parameter, you can do the\n",
+    "following:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "30",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "print(project_1.experiments['sim_si'].instrument.calib_d_to_tof_linear)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "31",
+   "metadata": {},
+   "source": [
+    "The `value` attribute represents the current value of the parameter as\n",
+    "a float. You can access it directly by using the `value` attribute of\n",
+    "the parameter. This is useful when you want to use the parameter value\n",
+    "in calculations or when you want to assign it to another parameter.\n",
+    "For example, to get only the value of the same parameter as floating\n",
+    "point number, but not the whole object, you can do the following:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "32",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "print(project_1.experiments['sim_si'].instrument.calib_d_to_tof_linear.value)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "33",
+   "metadata": {},
+   "source": [
+    "Note that to set the value of the parameter, you can simply assign a\n",
+    "new value to the parameter object without using the `value` attribute,\n",
+    "as we did above."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "34",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/parameters/)\n",
+    "for more details about parameters in EasyDiffraction and their\n",
+    "attributes."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "35",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile Parameters\n",
+    "\n",
+    "The next set of parameters is needed to define the peak profile used\n",
+    "in the fitting process. The peak profile describes the shape of the\n",
+    "diffraction peaks. They include parameters for the broadening and\n",
+    "asymmetry of the peaks.\n",
+    "\n",
+    "There are several commonly used peak profile functions:\n",
+    "- **Gaussian**: Describes peaks with a symmetric bell-shaped curve,\n",
+    "  often used when instrumental broadening dominates. [Click for more\n",
+    "  details.](https://mantidproject.github.io/docs-versioned/v6.1.0/fitting/fitfunctions/Gaussian.html)\n",
+    "- **Lorentzian**: Produces narrower central peaks with longer tails,\n",
+    "  frequently used to model size broadening effects. [Click for more\n",
+    "  details.](https://mantidproject.github.io/docs-versioned/v6.1.0/fitting/fitfunctions/Lorentzian.html)\n",
+    "- **Pseudo-Voigt**: A linear combination of Gaussian and Lorentzian\n",
+    "  components, providing flexibility to represent real diffraction\n",
+    "  peaks. [Click for more\n",
+    "  details.](https://mantidproject.github.io/docs-versioned/v6.1.0/fitting/fitfunctions/PseudoVoigt.html)\n",
+    "- **Pseudo-Voigt convoluted with Ikeda-Carpenter**: Incorporates the\n",
+    "  asymmetry introduced by the neutron pulse shape in time-of-flight\n",
+    "  instruments. This is a common choice for TOF neutron powder\n",
+    "  diffraction data. [Click for more\n",
+    "  details.](https://docs.mantidproject.org/v6.1.0/fitting/fitfunctions/IkedaCarpenterPV.html)\n",
+    "\n",
+    "Here, we use a pseudo-Voigt peak profile function with Ikeda-Carpenter\n",
+    "asymmetry.\n",
+    "\n",
+    "The parameter values are typically determined experimentally on the\n",
+    "same instrument and under the same configuration as the data being\n",
+    "analyzed, using measurements of a standard sample. In our case, the Si\n",
+    "sample serves as this standard reference. We will refine the peak\n",
+    "profile parameters here, and these refined values will be used as\n",
+    "starting points for the more complex fit in the next part of the\n",
+    "notebook. For this initial fit, we will provide reasonable physical\n",
+    "guesses as starting values."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "36",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#peak-category)\n",
+    "for more details about the peak profile types."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "37",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments['sim_si'].peak_profile_type = 'pseudo-voigt * ikeda-carpenter'\n",
+    "project_1.experiments['sim_si'].peak.broad_gauss_sigma_0 = 69498\n",
+    "project_1.experiments['sim_si'].peak.broad_gauss_sigma_1 = -55578\n",
+    "project_1.experiments['sim_si'].peak.broad_gauss_sigma_2 = 14560\n",
+    "project_1.experiments['sim_si'].peak.broad_mix_beta_0 = 0.0019\n",
+    "project_1.experiments['sim_si'].peak.broad_mix_beta_1 = 0.0137\n",
+    "project_1.experiments['sim_si'].peak.asym_alpha_0 = -0.0055\n",
+    "project_1.experiments['sim_si'].peak.asym_alpha_1 = 0.0147"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "38",
+   "metadata": {},
+   "source": [
+    "#### Set Background\n",
+    "\n",
+    "The background of the diffraction pattern represents the portion of\n",
+    "the pattern that is not related to the crystal structure of the\n",
+    "sample. It's rather represents noise and other sources of scattering\n",
+    "that can affect the measured intensities. This includes contributions\n",
+    "from the instrument, the sample holder, the sample environment, and\n",
+    "other sources of incoherent scattering.\n",
+    "\n",
+    "The background can be modeled in various ways. In this example, we\n",
+    "will use a simple line segment background, which is a common approach\n",
+    "for powder diffraction data. The background intensity at any point is\n",
+    "defined by linear interpolation between neighboring points. The\n",
+    "background points are selected to span the range of the diffraction\n",
+    "pattern while avoiding the peaks.\n",
+    "\n",
+    "We will add several background points at specific TOF values (in μs)\n",
+    "and corresponding intensity values. These points are chosen to\n",
+    "represent the background level in the diffraction pattern free from\n",
+    "any peaks.\n",
+    "\n",
+    "The background points are added using the `add` method of the\n",
+    "`background` object. The `x` parameter represents the TOF value, and\n",
+    "the `y` parameter represents the intensity value at that TOF.\n",
+    "\n",
+    "Let's set all the background points at a constant value of 0.01, which\n",
+    "can be roughly estimated by the eye, and we will refine them later\n",
+    "during the fitting process."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#background-category)\n",
+    "for more details about the background and its types."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments['sim_si'].background_type = 'line-segment'\n",
+    "project_1.experiments['sim_si'].background.create(id='1', x=50000, y=0.01)\n",
+    "project_1.experiments['sim_si'].background.create(id='2', x=60000, y=0.01)\n",
+    "project_1.experiments['sim_si'].background.create(id='3', x=70000, y=0.01)\n",
+    "project_1.experiments['sim_si'].background.create(id='4', x=80000, y=0.01)\n",
+    "project_1.experiments['sim_si'].background.create(id='5', x=90000, y=0.01)\n",
+    "project_1.experiments['sim_si'].background.create(id='6', x=100000, y=0.01)\n",
+    "project_1.experiments['sim_si'].background.create(id='7', x=110000, y=0.01)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "### 🧩 Create a Structure – Si\n",
+    "\n",
+    "After setting up the experiment, we need to create a structure that\n",
+    "describes the crystal structure of the sample being analyzed.\n",
+    "\n",
+    "In this case, we will create a structure for silicon (Si) with a\n",
+    "cubic crystal structure. The structure contains information about\n",
+    "the space group, lattice parameters, atomic positions of the atoms in\n",
+    "the unit cell, atom types, occupancies and atomic displacement\n",
+    "parameters. The structure is essential for the fitting process, as\n",
+    "it is used to calculate the expected diffraction pattern.\n",
+    "\n",
+    "EasyDiffraction refines the crystal structure of the sample, but does\n",
+    "not solve it. Therefore, we need a good starting point with reasonable\n",
+    "structural parameters.\n",
+    "\n",
+    "Here, we define the Si structure as a cubic structure. As this is a\n",
+    "cubic structure, we only need to define the single lattice parameter,\n",
+    "which is the length of the unit cell edge. The Si crystal structure\n",
+    "has a single atom in the unit cell, which is located at the origin (0,\n",
+    "0, 0) of the unit cell. The symmetry of this site is defined by the\n",
+    "Wyckoff letter 'a'. The atomic displacement parameter defines the\n",
+    "thermal vibrations of the atoms in the unit cell and is presented as\n",
+    "an isotropic parameter (B_iso).\n",
+    "\n",
+    "Sometimes, the initial crystal structure parameters can be obtained\n",
+    "from one of the crystallographic databases, like for example the\n",
+    "Crystallography Open Database (COD). In this case, we use the COD\n",
+    "entry for silicon as a reference for the initial crystal structure\n",
+    "model: https://www.crystallography.net/cod/4507226.html\n",
+    "\n",
+    "Usually, the crystal structure parameters are provided in a CIF file\n",
+    "format, which is a standard format for crystallographic data. An\n",
+    "example of a CIF file for silicon is shown below. The CIF file\n",
+    "contains the space group information, unit cell parameters, and atomic\n",
+    "positions."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "42",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/data-format/)\n",
+    "for more details about the CIF format and its use in EasyDiffraction."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "43",
+   "metadata": {},
+   "source": [
+    "```\n",
+    "data_si\n",
+    "\n",
+    "_space_group.name_H-M_alt  \"F d -3 m\"\n",
+    "_space_group.IT_coordinate_system_code  2\n",
+    "\n",
+    "_cell.length_a      5.43\n",
+    "_cell.length_b      5.43\n",
+    "_cell.length_c      5.43\n",
+    "_cell.angle_alpha  90.0\n",
+    "_cell.angle_beta   90.0\n",
+    "_cell.angle_gamma  90.0\n",
+    "\n",
+    "loop_\n",
+    "_atom_site.label\n",
+    "_atom_site.type_symbol\n",
+    "_atom_site.fract_x\n",
+    "_atom_site.fract_y\n",
+    "_atom_site.fract_z\n",
+    "_atom_site.wyckoff_letter\n",
+    "_atom_site.occupancy\n",
+    "_atom_site.ADP_type\n",
+    "_atom_site.B_iso_or_equiv\n",
+    "Si Si   0 0 0   a  1.0   Biso 0.89\n",
+    "```"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "44",
+   "metadata": {},
+   "source": [
+    "As with adding the experiment in the previous step, we will create a\n",
+    "default structure and then modify its parameters to match the Si\n",
+    "structure."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "45",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/)\n",
+    "for more details about structures and their purpose in the data\n",
+    "analysis workflow."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "46",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "47",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.structures.create(name='si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "48",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "49",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/#space-group-category)\n",
+    "for more details about the space group."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "50",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.structures['si'].space_group.name_h_m = 'F d -3 m'\n",
+    "project_1.structures['si'].space_group.it_coordinate_system_code = '2'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51",
+   "metadata": {},
+   "source": [
+    "#### Set Lattice Parameters"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "52",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/#cell-category)\n",
+    "for more details about the unit cell parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "53",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.structures['si'].cell.length_a = 5.43"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "54",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "55",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/#atom-sites-category)\n",
+    "for more details about the atom sites category."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "56",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.structures['si'].atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.89,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "57",
+   "metadata": {},
+   "source": [
+    "### 🔗 Assign Structure to Experiment\n",
+    "\n",
+    "Now we need to assign, or link, this structure to the experiment\n",
+    "created above. This linked crystallographic phase will be used to\n",
+    "calculate the expected diffraction pattern based on the crystal\n",
+    "structure defined in the structure."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "58",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#linked-phases-category)\n",
+    "for more details about linking a structure to an experiment."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "59",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments['sim_si'].linked_phases.create(id='si', scale=1.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "60",
+   "metadata": {},
+   "source": [
+    "### 🚀 Analyze and Fit the Data\n",
+    "\n",
+    "After setting up the experiment and structure, we can now analyze\n",
+    "the measured diffraction pattern and perform the fit. Building on the\n",
+    "analogies from the EasyScience library and the previous notebooks, we\n",
+    "can say that all the parameters we introduced earlier — those defining\n",
+    "the structure (crystal structure parameters) and the experiment\n",
+    "(instrument, background, and peak profile parameters) — together form\n",
+    "the complete set of parameters that can be refined during the fitting\n",
+    "process.\n",
+    "\n",
+    "Unlike in the previous analysis notebooks, we will not create a\n",
+    "**math_model** object here. The mathematical model used to calculate\n",
+    "the expected diffraction pattern is already defined in the library and\n",
+    "will be applied automatically during the fitting process."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "61",
+   "metadata": {
+    "title": "**Reminder:**"
+   },
+   "source": [
+    "\n",
+    "The fitting process involves comparing the measured diffraction\n",
+    "pattern with the calculated diffraction pattern based on the crystal\n",
+    "structure and instrument parameters. The goal is to adjust the\n",
+    "parameters of the structure and the experiment to minimize the\n",
+    "difference between the measured and calculated diffraction patterns.\n",
+    "This is done by refining the parameters of the structure and the\n",
+    "instrument settings to achieve a better fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "62",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/analysis/#minimization-optimization)\n",
+    "for more details about the fitting process in EasyDiffraction."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "63",
+   "metadata": {},
+   "source": [
+    "#### Set Fit Parameters\n",
+    "\n",
+    "To perform the fit, we need to specify the refinement parameters.\n",
+    "These are the parameters that will be adjusted during the fitting\n",
+    "process to minimize the difference between the measured and calculated\n",
+    "diffraction patterns. This is done by setting the `free` attribute of\n",
+    "the corresponding parameters to `True`.\n",
+    "\n",
+    "Note: setting `param.free = True` is equivalent to using `param.fixed\n",
+    "= False` in the EasyScience library.\n",
+    "\n",
+    "We will refine the scale factor of the Si phase, the intensities of\n",
+    "the background points as well as the peak profile parameters. The\n",
+    "structure parameters of the Si phase will not be refined, as this\n",
+    "sample is considered a reference sample with known parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "64",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.experiments['sim_si'].linked_phases['si'].scale.free = True\n",
+    "\n",
+    "for line_segment in project_1.experiments['sim_si'].background:\n",
+    "    line_segment.y.free = True\n",
+    "\n",
+    "project_1.experiments['sim_si'].peak.broad_gauss_sigma_0.free = True\n",
+    "project_1.experiments['sim_si'].peak.broad_gauss_sigma_1.free = True\n",
+    "project_1.experiments['sim_si'].peak.broad_gauss_sigma_2.free = True\n",
+    "project_1.experiments['sim_si'].peak.broad_mix_beta_0.free = True\n",
+    "project_1.experiments['sim_si'].peak.broad_mix_beta_1.free = True\n",
+    "project_1.experiments['sim_si'].peak.asym_alpha_0.free = True\n",
+    "project_1.experiments['sim_si'].peak.asym_alpha_1.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "65",
+   "metadata": {},
+   "source": [
+    "#### Show Free Parameters\n",
+    "\n",
+    "We can check which parameters are free to be refined by calling the\n",
+    "`show_free_params` method of the `analysis` object of the project."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "66",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://easyscience.github.io/diffraction-lib/user-guide/first-steps/#available-parameters)\n",
+    "for more details on how to\n",
+    "- show all parameters of the project,\n",
+    "- show all fittable parameters, and\n",
+    "- show only free parameters of the project."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "67",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "68",
+   "metadata": {},
+   "source": [
+    "#### Visualize Diffraction Patterns\n",
+    "\n",
+    "Before performing the fit, we can visually compare the measured\n",
+    "diffraction pattern with the calculated diffraction pattern based on\n",
+    "the initial parameters of the structure and the instrument. This\n",
+    "provides an indication of how well the initial parameters match the\n",
+    "measured data. The `plot_meas_vs_calc` method of the project allows\n",
+    "this comparison."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "69",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.plot_meas_vs_calc(expt_name='sim_si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "70",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting\n",
+    "\n",
+    "We can now perform the fit using the `fit` method of the `analysis`\n",
+    "object of the project."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "71",
+   "metadata": {
+    "tags": [
+     "doc-link"
+    ]
+   },
+   "source": [
+    "📖 See\n",
+    "[documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/analysis/#perform-fit)\n",
+    "for more details about the fitting process."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "72",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.analysis.fit()\n",
+    "project_1.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "73",
+   "metadata": {},
+   "source": [
+    "#### Check Fit Results\n",
+    "\n",
+    "You can see that the agreement between the measured and calculated\n",
+    "diffraction patterns is now much improved and that the intensities of\n",
+    "the calculated peaks align much better with the measured peaks. To\n",
+    "check the quality of the fit numerically, we can look at the\n",
+    "goodness-of-fit χ² value and the reliability R-factors. The χ² value\n",
+    "is a measure of how well the calculated diffraction pattern matches\n",
+    "the measured pattern, and it is calculated as the sum of the squared\n",
+    "differences between the measured and calculated intensities, divided\n",
+    "by the number of data points. Ideally, the χ² value should be close to\n",
+    "1, indicating a good fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "74",
+   "metadata": {},
+   "source": [
+    "#### Visualize Fit Results\n",
+    "\n",
+    "After the fit is completed, we can plot the comparison between the\n",
+    "measured and calculated diffraction patterns again to see how well the\n",
+    "fit improved the agreement between the two. The calculated diffraction\n",
+    "pattern is now based on the refined parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "75",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.plot_meas_vs_calc(expt_name='sim_si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "76",
+   "metadata": {},
+   "source": [
+    "#### TOF vs d-spacing\n",
+    "\n",
+    "The diffraction pattern is typically analyzed and plotted in the\n",
+    "time-of-flight (TOF) axis, which represents the time it takes for\n",
+    "neutrons to travel from the sample to the detector. However, it is\n",
+    "sometimes more convenient to visualize the diffraction pattern in the\n",
+    "d-spacing axis, which represents the distance between planes in the\n",
+    "crystal lattice.\n",
+    "\n",
+    "The conversion from d-spacing to TOF was already introduced in the\n",
+    "data reduction notebook. As a reminder, the two are related through\n",
+    "the instrument calibration parameters according to the equation:\n",
+    "\n",
+    "$$ \\text{TOF} = \\text{offset} + \\text{linear} \\cdot d + \\text{quad}\n",
+    "\\cdot d^{2}, $$\n",
+    "\n",
+    "where `offset`, `linear`, and `quad` are calibration parameters.\n",
+    "\n",
+    "In our case, only the `linear` term is used (the\n",
+    "`calib_d_to_tof_linear` parameter we set earlier). The `offset` and\n",
+    "`quad` terms were not part of the data reduction and are therefore set\n",
+    "to 0 by default.\n",
+    "\n",
+    "The `plot_meas_vs_calc` method of the project allows us to plot the\n",
+    "measured and calculated diffraction patterns in the d-spacing axis by\n",
+    "setting the `d_spacing` parameter to `True`."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "77",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.plot_meas_vs_calc(expt_name='sim_si', x='d_spacing')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "78",
+   "metadata": {},
+   "source": [
+    "As you can see, the calculated diffraction pattern now matches the\n",
+    "measured pattern much more closely. Typically, additional experimental\n",
+    "parameters are included in the refinement process to further improve\n",
+    "the fit. In this example, the structural parameters are not refined\n",
+    "because the Si crystal structure is a well-known standard reference\n",
+    "used to calibrate both the instrument and the experimental setup. The\n",
+    "refined experimental parameters obtained here will then be applied\n",
+    "when fitting the crystal structures of other materials.\n",
+    "\n",
+    "In the next part of the notebook, we will move to a more advanced case\n",
+    "and fit a more complex crystal structure: La₀.₅Ba₀.₅CoO₃ (LBCO).\n",
+    "\n",
+    "#### Save Project\n",
+    "\n",
+    "Before moving on, we can save the project to disk for later use. This\n",
+    "will preserve the entire project structure, including experiments,\n",
+    "structures, and fitting results. The project is saved into a\n",
+    "directory specified by the `dir_path` attribute of the project object."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "79",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_1.save_as(dir_path='powder_diffraction_Si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "80",
+   "metadata": {},
+   "source": [
+    "## 💪 Exercise: Complex Fit – LBCO\n",
+    "\n",
+    "Now that you have a basic understanding of the fitting process, we\n",
+    "will undertake a more complex fit of the La₀.₅Ba₀.₅CoO₃ (LBCO) crystal\n",
+    "structure using simulated powder diffraction data from the data\n",
+    "reduction notebook.\n",
+    "\n",
+    "You can use the same approach as in the previous part of the notebook,\n",
+    "but this time we will refine a more complex crystal structure LBCO\n",
+    "with multiple atoms in the unit cell.\n",
+    "\n",
+    "### 📦 Exercise 1: Create a Project\n",
+    "\n",
+    "Create a new project for the LBCO fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "81",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "82",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can use the same approach as in the previous part of the notebook,\n",
+    "but this time we will create a new project for the LBCO fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "83",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "84",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2 = ed.Project(name='main')\n",
+    "project_2.info.title = 'La0.5Ba0.5CoO3 Fit'\n",
+    "project_2.info.description = 'Fitting simulated powder diffraction pattern of La0.5Ba0.5CoO3.'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "85",
+   "metadata": {},
+   "source": [
+    "### 🔬 Exercise 2: Define an Experiment\n",
+    "\n",
+    "#### Exercise 2.1: Create an Experiment\n",
+    "\n",
+    "Create an experiment within the new project and load the reduced\n",
+    "diffraction pattern for LBCO."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "86",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "87",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can use the same approach as in the previous part of the notebook,\n",
+    "but this time you need to use the data file for LBCO."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "88",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "89",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "data_dir = 'data'\n",
+    "file_name = 'reduced_LBCO.xye'\n",
+    "lbco_xye_path = f'{data_dir}/{file_name}'\n",
+    "\n",
+    "# Uncomment the following line if your data reduction failed and the\n",
+    "# reduced data file is missing.\n",
+    "lbco_xye_path = ed.download_data(id=18, destination=data_dir)\n",
+    "\n",
+    "project_2.experiments.add_from_data_path(\n",
+    "    name='sim_lbco',\n",
+    "    data_path=lbco_xye_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='time-of-flight',\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "90",
+   "metadata": {},
+   "source": [
+    "#### Exercise 2.1: Inspect Measured Data\n",
+    "\n",
+    "Check the measured data of the LBCO experiment. Are there any peaks\n",
+    "with the shape similar to those excluded in the Si fit? If so, exclude\n",
+    "them from this analysis as well."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "91",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "92",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can use the `plot_meas` method of the project to visualize the\n",
+    "measured diffraction pattern. You can also use the `excluded_regions`\n",
+    "attribute of the experiment to exclude specific regions from the\n",
+    "analysis as we did in the previous part of the notebook."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "93",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "94",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.plot_meas(expt_name='sim_lbco')\n",
+    "\n",
+    "project_2.experiments['sim_lbco'].excluded_regions.create(id='1', start=0, end=55000)\n",
+    "project_2.experiments['sim_lbco'].excluded_regions.create(id='2', start=105500, end=200000)\n",
+    "\n",
+    "project_2.plot_meas(expt_name='sim_lbco')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "95",
+   "metadata": {},
+   "source": [
+    "#### Exercise 2.2: Set Instrument Parameters\n",
+    "\n",
+    "Set the instrument parameters for the LBCO experiment."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "96",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "97",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the values from the data reduction process for the LBCO and\n",
+    "follow the same approach as in the previous part of the notebook."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "98",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "99",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.experiments['sim_lbco'].instrument.setup_twotheta_bank = ed.extract_metadata(\n",
+    "    lbco_xye_path, r'two_theta\\s*=\\s*([-+]?\\d*\\.?\\d+(?:[eE][-+]?\\d+)?)'\n",
+    ")\n",
+    "project_2.experiments['sim_lbco'].instrument.calib_d_to_tof_linear = ed.extract_metadata(\n",
+    "    lbco_xye_path, r'DIFC\\s*=\\s*([-+]?\\d*\\.?\\d+(?:[eE][-+]?\\d+)?)'\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "100",
+   "metadata": {},
+   "source": [
+    "#### Exercise 2.3: Set Peak Profile Parameters\n",
+    "\n",
+    "Set the peak profile parameters for the LBCO experiment."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "101",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "102",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the values from the\n",
+    "previous part of the notebook. You can either manually copy the values\n",
+    "from the Si fit or use the `value` attribute of the parameters from\n",
+    "the Si experiment to set the initial values for the LBCO experiment.\n",
+    "This will help us to have a good starting point for the fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "103",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "104",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "# # Create a reference to the peak profile parameters from the Si\n",
+    "sim_si_peak = project_1.experiments['sim_si'].peak\n",
+    "project_2.experiments['sim_lbco'].peak_profile_type = 'pseudo-voigt * ikeda-carpenter'\n",
+    "project_2.experiments['sim_lbco'].peak.broad_gauss_sigma_0 = sim_si_peak.broad_gauss_sigma_0.value\n",
+    "project_2.experiments['sim_lbco'].peak.broad_gauss_sigma_1 = sim_si_peak.broad_gauss_sigma_1.value\n",
+    "project_2.experiments['sim_lbco'].peak.broad_gauss_sigma_2 = sim_si_peak.broad_gauss_sigma_2.value\n",
+    "project_2.experiments['sim_lbco'].peak.broad_mix_beta_0 = sim_si_peak.broad_mix_beta_0.value\n",
+    "project_2.experiments['sim_lbco'].peak.broad_mix_beta_1 = sim_si_peak.broad_mix_beta_1.value\n",
+    "project_2.experiments['sim_lbco'].peak.asym_alpha_0 = sim_si_peak.asym_alpha_0.value\n",
+    "project_2.experiments['sim_lbco'].peak.asym_alpha_1 = sim_si_peak.asym_alpha_1.value"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "105",
+   "metadata": {},
+   "source": [
+    "#### Exercise 2.4: Set Background\n",
+    "\n",
+    "Set the background points for the LBCO experiment. What would you\n",
+    "suggest as the initial intensity value for the background points?"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "106",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "107",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the same approach as in the previous part of the notebook, but\n",
+    "this time you need to set the background points for the LBCO\n",
+    "experiment. You can zoom in on the measured diffraction pattern to\n",
+    "determine the approximate background level."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "108",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "109",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.experiments['sim_lbco'].background_type = 'line-segment'\n",
+    "project_2.experiments['sim_lbco'].background.create(id='1', x=50000, y=0.2)\n",
+    "project_2.experiments['sim_lbco'].background.create(id='2', x=60000, y=0.2)\n",
+    "project_2.experiments['sim_lbco'].background.create(id='3', x=70000, y=0.2)\n",
+    "project_2.experiments['sim_lbco'].background.create(id='4', x=80000, y=0.2)\n",
+    "project_2.experiments['sim_lbco'].background.create(id='5', x=90000, y=0.2)\n",
+    "project_2.experiments['sim_lbco'].background.create(id='6', x=100000, y=0.2)\n",
+    "project_2.experiments['sim_lbco'].background.create(id='7', x=110000, y=0.2)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "110",
+   "metadata": {},
+   "source": [
+    "### 🧩 Exercise 3: Define a Structure – LBCO\n",
+    "\n",
+    "The LBSO structure is not as simple as the Si one, as it contains\n",
+    "multiple atoms in the unit cell. It is not in COD, so we give you the\n",
+    "structural parameters in CIF format to create the structure.\n",
+    "\n",
+    "Note that those parameters are not necessarily the most accurate ones,\n",
+    "but they are a good starting point for the fit. The aim of the study\n",
+    "is to refine the LBCO lattice parameters."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "111",
+   "metadata": {},
+   "source": [
+    "```\n",
+    "data_lbco\n",
+    "\n",
+    "_space_group.name_H-M_alt  \"P m -3 m\"\n",
+    "_space_group.IT_coordinate_system_code  1\n",
+    "\n",
+    "_cell.length_a      3.89\n",
+    "_cell.length_b      3.89\n",
+    "_cell.length_c      3.89\n",
+    "_cell.angle_alpha  90.0\n",
+    "_cell.angle_beta   90.0\n",
+    "_cell.angle_gamma  90.0\n",
+    "\n",
+    "loop_\n",
+    "_atom_site.label\n",
+    "_atom_site.type_symbol\n",
+    "_atom_site.fract_x\n",
+    "_atom_site.fract_y\n",
+    "_atom_site.fract_z\n",
+    "_atom_site.wyckoff_letter\n",
+    "_atom_site.occupancy\n",
+    "_atom_site.ADP_type\n",
+    "_atom_site.B_iso_or_equiv\n",
+    "La La   0.0 0.0 0.0   a   0.5   Biso 0.95\n",
+    "Ba Ba   0.0 0.0 0.0   a   0.5   Biso 0.95\n",
+    "Co Co   0.5 0.5 0.5   b   1.0   Biso 0.80\n",
+    "O  O    0.0 0.5 0.5   c   1.0   Biso 1.66\n",
+    "```"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "112",
+   "metadata": {},
+   "source": [
+    "Note that the `occupancy` of the La and Ba atoms is 0.5\n",
+    "and those atoms are located in the same position (0, 0, 0) in the unit\n",
+    "cell. This means that an extra attribute `occupancy` needs to be set\n",
+    "for those atoms later in the structure.\n",
+    "\n",
+    "We model the La/Ba site using the virtual crystal approximation. In\n",
+    "this approach, the scattering is taken as a weighted average of La and\n",
+    "Ba. This reproduces the average diffraction pattern well but does not\n",
+    "capture certain real-world effects.\n",
+    "\n",
+    "The edge cases are:\n",
+    "- **Random distribution**. La and Ba atoms are placed randomly. The\n",
+    "   Bragg peaks still match the average structure, but the pattern also\n",
+    "   shows extra background (diffuse scattering) between the peaks, but\n",
+    "   this is usually neglected in the analysis.\n",
+    "- **Perfect ordering**. La and Ba arrange themselves in a regular\n",
+    "   pattern, creating a larger repeating unit. This gives rise to extra\n",
+    "   peaks (\"superlattice reflections\") and changes the intensity of\n",
+    "   some existing peaks.\n",
+    "- **Virtual crystal approximation (our model)**. We replace the site\n",
+    "   with a single \"virtual atom\" that averages La and Ba. This gives\n",
+    "   the correct average Bragg peaks but leaves out the extra background\n",
+    "   of the random case and the extra peaks of the ordered case."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "113",
+   "metadata": {},
+   "source": [
+    "#### Exercise 3.1: Create Structure\n",
+    "\n",
+    "Add a structure for LBCO to the project. The structure\n",
+    "parameters will be set in the next exercises."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "114",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "115",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can use the same approach as in the previous part of the notebook,\n",
+    "but this time you need to use the name corresponding to the LBCO\n",
+    "structure, e.g. 'lbco'."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "116",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "117",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.structures.create(name='lbco')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "118",
+   "metadata": {},
+   "source": [
+    "#### Exercise 3.2: Set Space Group\n",
+    "\n",
+    "Set the space group for the LBCO structure."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "119",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "120",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the space group name and IT coordinate system code from the CIF\n",
+    "data."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "121",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "122",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.structures['lbco'].space_group.name_h_m = 'P m -3 m'\n",
+    "project_2.structures['lbco'].space_group.it_coordinate_system_code = '1'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "123",
+   "metadata": {},
+   "source": [
+    "#### Exercise 3.3: Set Lattice Parameters\n",
+    "\n",
+    "Set the lattice parameters for the LBCO structure."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "124",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "125",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the lattice parameters from the CIF data."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "126",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "127",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.structures['lbco'].cell.length_a = 3.88"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "128",
+   "metadata": {},
+   "source": [
+    "#### Exercise 3.4: Set Atom Sites\n",
+    "\n",
+    "Set the atom sites for the LBCO structure."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "129",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "130",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the atom sites from the CIF data. You can use the `add` method of\n",
+    "the `atom_sites` attribute of the structure to add the atom sites."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "131",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "132",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.structures['lbco'].atom_sites.create(\n",
+    "    label='La',\n",
+    "    type_symbol='La',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.95,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "project_2.structures['lbco'].atom_sites.create(\n",
+    "    label='Ba',\n",
+    "    type_symbol='Ba',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.95,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "project_2.structures['lbco'].atom_sites.create(\n",
+    "    label='Co',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0.5,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=0.80,\n",
+    ")\n",
+    "project_2.structures['lbco'].atom_sites.create(\n",
+    "    label='O',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=1.66,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "133",
+   "metadata": {},
+   "source": [
+    "### 🔗 Exercise 4: Assign Structure to Experiment\n",
+    "\n",
+    "Now assign the LBCO structure to the experiment created above."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "134",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "135",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the `linked_phases` attribute of the experiment to link the\n",
+    "crystal structure."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "136",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "137",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.experiments['sim_lbco'].linked_phases.create(id='lbco', scale=1.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "138",
+   "metadata": {},
+   "source": [
+    "### 🚀 Exercise 5: Analyze and Fit the Data\n",
+    "\n",
+    "#### Exercise 5.1: Set Fit Parameters\n",
+    "\n",
+    "Select the initial set of parameters to be refined during the fitting\n",
+    "process."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "139",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "140",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can start with the scale factor and the background points, as in\n",
+    "the Si fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "141",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "142",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.experiments['sim_lbco'].linked_phases['lbco'].scale.free = True\n",
+    "\n",
+    "for line_segment in project_2.experiments['sim_lbco'].background:\n",
+    "    line_segment.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "143",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.2: Run Fitting\n",
+    "\n",
+    "Visualize the measured and calculated diffraction patterns before\n",
+    "fitting and then run the fitting process."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "144",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "145",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the `plot_meas_vs_calc` method of the project to visualize the\n",
+    "measured and calculated diffraction patterns before fitting. Then, use\n",
+    "the `fit` method of the `analysis` object of the project to perform\n",
+    "the fitting process."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "146",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "147",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco')\n",
+    "\n",
+    "project_2.analysis.fit()\n",
+    "project_2.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "148",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.3: Find the Misfit in the Fit\n",
+    "\n",
+    "Visualize the measured and calculated diffraction patterns after the\n",
+    "fit. As you can see, the fit shows noticeable discrepancies. If you\n",
+    "zoom in on different regions of the pattern, you will observe that all\n",
+    "the calculated peaks are shifted to the left.\n",
+    "\n",
+    "What could be the reason for the misfit?"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "149",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "150",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Consider the following options:\n",
+    "1. The conversion parameters from TOF to d-spacing are not correct.\n",
+    "2. The lattice parameters of the LBCO phase are not correct.\n",
+    "3. The peak profile parameters are not correct.\n",
+    "4. The background points are not correct."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "151",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "152",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "\n",
+    "1. ❌ The conversion parameters from TOF to d-spacing were set based\n",
+    "on the data reduction step. While they are specific to each dataset\n",
+    "and thus differ from those used for the Si data, the full reduction\n",
+    "workflow has already been validated with the Si fit. Therefore, they\n",
+    "are not the cause of the misfit in this case.\n",
+    "2. ✅ The lattice parameters of the LBCO phase were set based on the\n",
+    "CIF data, which is a good starting point, but they are not necessarily\n",
+    "as accurate as needed for the fit. The lattice parameters may need to\n",
+    "be refined.\n",
+    "3. ❌ The peak profile parameters do not change the position of the\n",
+    "peaks, but rather their shape.\n",
+    "4. ❌ The background points affect the background level, but not the\n",
+    "peak positions."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "153",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "154",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.4: Refine the LBCO Lattice Parameter\n",
+    "\n",
+    "To improve the fit, refine the lattice parameters of the LBCO phase."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "155",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "156",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "To achieve this, we will set the `free` attribute of the `length_a`\n",
+    "parameter of the LBCO cell to `True`.\n",
+    "\n",
+    "LBCO has a cubic crystal structure (space group `P m -3 m`), which\n",
+    "means that `length_b` and `length_c` are constrained to be equal to\n",
+    "`length_a`. Therefore, only `length_a` needs to be refined; the other\n",
+    "two will be updated automatically. All cell angles are fixed at 90°,\n",
+    "so they do not require refinement."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "157",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "158",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.structures['lbco'].cell.length_a.free = True\n",
+    "\n",
+    "project_2.analysis.fit()\n",
+    "project_2.analysis.show_fit_results()\n",
+    "\n",
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "159",
+   "metadata": {},
+   "source": [
+    "One of the main goals of this study was to refine the lattice\n",
+    "parameter of the LBCO phase. As shown in the updated fit results, the\n",
+    "overall fit has improved significantly, even though the change in cell\n",
+    "length is less than 1% of the initial value. This demonstrates how\n",
+    "even a small adjustment to the lattice parameter can have a\n",
+    "substantial impact on the quality of the fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "160",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.5: Visualize the Fit Results in d-spacing\n",
+    "\n",
+    "Plot measured vs calculated diffraction patterns in d-spacing instead\n",
+    "of TOF."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "161",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "162",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Use the `plot_meas_vs_calc` method of the project and set the\n",
+    "`d_spacing` parameter to `True`."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "163",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "164",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "165",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.6: Refine the Peak Profile Parameters\n",
+    "\n",
+    "As you can see, the fit is now relatively good and the peak positions\n",
+    "are much closer to the measured data.\n",
+    "\n",
+    "The peak profile parameters were not refined, and their starting\n",
+    "values were set based on the previous fit of the Si standard sample.\n",
+    "Although these starting values are reasonable and provide a good\n",
+    "starting point for the fit, they are not necessarily optimal for the\n",
+    "LBCO phase. This can be seen while inspecting the individual peaks in\n",
+    "the diffraction pattern. For example, the calculated curve does not\n",
+    "perfectly describe the peak at about 1.38 Å, as can be seen below:"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "166",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.35, x_max=1.40)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "167",
+   "metadata": {},
+   "source": [
+    "The peak profile parameters are determined based on both the\n",
+    "instrument and the sample characteristics, so they can vary when\n",
+    "analyzing different samples on the same instrument. Therefore, it is\n",
+    "better to refine them as well.\n",
+    "\n",
+    "Select the peak profile parameters to be refined during the fitting\n",
+    "process."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "168",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "169",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can set the `free` attribute of the peak profile parameters to\n",
+    "`True` to allow the fitting process to adjust them. You can use the\n",
+    "same approach as in the previous part of the notebook, but this time\n",
+    "you will refine the peak profile parameters of the LBCO phase."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "170",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "171",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.experiments['sim_lbco'].peak.broad_gauss_sigma_0.free = True\n",
+    "project_2.experiments['sim_lbco'].peak.broad_gauss_sigma_1.free = True\n",
+    "project_2.experiments['sim_lbco'].peak.broad_gauss_sigma_2.free = True\n",
+    "project_2.experiments['sim_lbco'].peak.broad_mix_beta_0.free = True\n",
+    "project_2.experiments['sim_lbco'].peak.broad_mix_beta_1.free = True\n",
+    "project_2.experiments['sim_lbco'].peak.asym_alpha_0.free = True\n",
+    "project_2.experiments['sim_lbco'].peak.asym_alpha_1.free = True\n",
+    "\n",
+    "project_2.analysis.fit()\n",
+    "project_2.analysis.show_fit_results()\n",
+    "\n",
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.35, x_max=1.40)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "172",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.7: Find Undefined Features\n",
+    "\n",
+    "After refining the lattice parameter and the peak profile parameters,\n",
+    "the fit is significantly improved, but inspect the diffraction pattern\n",
+    "again. Are you noticing anything undefined?"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "173",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "174",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "While the fit is now significantly better, there are still some\n",
+    "unexplained peaks in the diffraction pattern. These peaks are not\n",
+    "accounted for by the LBCO phase. For example, if you zoom in on the\n",
+    "region around 1.6 Å (or 95,000 μs), you will notice that the rightmost\n",
+    "peak is not explained by the LBCO phase at all."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "175",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "176",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.53, x_max=1.7)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "177",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.8: Identify the Cause of the Unexplained Peaks\n",
+    "\n",
+    "Analyze the residual peaks that remain after refining the LBCO phase\n",
+    "and the peak-profile parameters. Based on their positions and\n",
+    "characteristics, decide which potential cause best explains the\n",
+    "misfit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "178",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "179",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Consider the following options:\n",
+    "1. The LBCO phase is not correctly modeled.\n",
+    "2. The LBCO phase is not the only phase present in the sample.\n",
+    "3. The data reduction process introduced artifacts.\n",
+    "4. The studied sample is not LBCO, but rather a different phase."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "180",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "181",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "1. ❌ In principle, this could be the case, as sometimes the presence\n",
+    "of extra peaks in the diffraction pattern can indicate lower symmetry\n",
+    "than the one used in the model, or that the model is not complete.\n",
+    "However, in this case, the LBCO phase is correctly modeled based on\n",
+    "the CIF data.\n",
+    "2. ✅ The unexplained peaks are due to the presence of an impurity\n",
+    "phase in the sample, which is not included in the current model.\n",
+    "3. ❌ The data reduction process is not likely to introduce such\n",
+    "specific peaks, as it is tested and verified in the previous part of\n",
+    "the notebook.\n",
+    "4. ❌ This could also be the case in real experiments, but in this\n",
+    "case, we know that the sample is LBCO, as it was simulated based on\n",
+    "the CIF data."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "182",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.9: Identify the impurity phase\n",
+    "\n",
+    "Use the positions of the unexplained peaks to identify the most likely\n",
+    "secondary phase present in the sample."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "183",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "184",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "Check the positions of the unexplained peaks in the diffraction\n",
+    "pattern. Compare them with the known diffraction patterns in the\n",
+    "previous part of the notebook."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "185",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "186",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "The unexplained peaks are likely due to the presence of a small amount\n",
+    "of Si in the LBCO sample. In real experiments, it might happen, e.g.,\n",
+    "because the sample holder was not cleaned properly after the Si\n",
+    "experiment.\n",
+    "\n",
+    "You can visalize both the patterns of the Si and LBCO phases to\n",
+    "confirm this hypothesis."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "187",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "project_1.plot_meas_vs_calc(expt_name='sim_si', x='d_spacing', x_min=1, x_max=1.7)\n",
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1, x_max=1.7)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "188",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.10: Create a Second Structure – Si as Impurity\n",
+    "\n",
+    "Create a second structure for the Si phase, which is the impurity\n",
+    "phase identified in the previous step. Link this structure to the\n",
+    "LBCO experiment."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "189",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "190",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can use the same approach as in the previous part of the notebook,\n",
+    "but this time you need to create a structure for Si and link it to\n",
+    "the LBCO experiment."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "191",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "192",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "# Set Space Group\n",
+    "project_2.structures.create(name='si')\n",
+    "project_2.structures['si'].space_group.name_h_m = 'F d -3 m'\n",
+    "project_2.structures['si'].space_group.it_coordinate_system_code = '2'\n",
+    "\n",
+    "# Set Lattice Parameters\n",
+    "project_2.structures['si'].cell.length_a = 5.43\n",
+    "\n",
+    "# Set Atom Sites\n",
+    "project_2.structures['si'].atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.89,\n",
+    ")\n",
+    "\n",
+    "# Assign Structure to Experiment\n",
+    "project_2.experiments['sim_lbco'].linked_phases.create(id='si', scale=1.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "193",
+   "metadata": {},
+   "source": [
+    "#### Exercise 5.11: Refine the Scale of the Si Phase\n",
+    "\n",
+    "Visualize the measured diffraction pattern and the calculated\n",
+    "diffraction pattern. Check if the Si phase is contributing to the\n",
+    "calculated diffraction pattern. Refine the scale factor of the Si\n",
+    "phase to improve the fit."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "194",
+   "metadata": {},
+   "source": [
+    "**Hint:**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "195",
+   "metadata": {
+    "tags": [
+     "dmsc-school-hint"
+    ]
+   },
+   "source": [
+    "You can use the `plot_meas_vs_calc` method of the project to visualize\n",
+    "the patterns. Then, set the `free` attribute of the `scale` parameter\n",
+    "of the Si phase to `True` to allow the fitting process to adjust the\n",
+    "scale factor."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "196",
+   "metadata": {},
+   "source": [
+    "**Solution:**"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "197",
+   "metadata": {
+    "tags": [
+     "solution",
+     "hide-input"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "# Before optimizing the parameters, we can visualize the measured\n",
+    "# diffraction pattern and the calculated diffraction pattern based on\n",
+    "# the two phases: LBCO and Si.\n",
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco')\n",
+    "\n",
+    "# As you can see, the calculated pattern is now the sum of both phases,\n",
+    "# and Si peaks are visible in the calculated pattern. However, their\n",
+    "# intensities are much too high. Therefore, we need to refine the scale\n",
+    "# factor of the Si phase.\n",
+    "project_2.experiments['sim_lbco'].linked_phases['si'].scale.free = True\n",
+    "\n",
+    "# Now we can perform the fit with both phases included.\n",
+    "project_2.analysis.fit()\n",
+    "project_2.analysis.show_fit_results()\n",
+    "\n",
+    "# Let's plot the measured diffraction pattern and the calculated\n",
+    "# diffraction pattern both for the full range and for a zoomed-in region\n",
+    "# around the previously unexplained peak near 95,000 μs. The calculated\n",
+    "# pattern will be the sum of the two phases.\n",
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco')\n",
+    "project_2.plot_meas_vs_calc(expt_name='sim_lbco', x_min=88000, x_max=101000)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "198",
+   "metadata": {},
+   "source": [
+    "All previously unexplained peaks are now accounted for in the pattern,\n",
+    "and the fit is improved. Some discrepancies in the peak intensities\n",
+    "remain, but further improvements would require more advanced data\n",
+    "reduction and analysis, which are beyond the scope of this school.\n",
+    "\n",
+    "To review the analysis results, you can generate and print a summary\n",
+    "report using the `show_report()` method, as demonstrated in the cell\n",
+    "below. The report includes parameters related to the structure and\n",
+    "the experiment, such as the refined unit cell parameter `a` of LBCO.\n",
+    "\n",
+    "Information about the crystal or magnetic structure, along with\n",
+    "experimental details, fitting quality, and other relevant data, is\n",
+    "often submitted to crystallographic journals as part of a scientific\n",
+    "publication. It can also be deposited in crystallographic databases\n",
+    "when relevant."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "199",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_2.summary.show_report()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "200",
+   "metadata": {},
+   "source": [
+    "Finally, we save the project to disk to preserve the current state of\n",
+    "the analysis."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "201",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project_2.save_as(dir_path='powder_diffraction_LBCO_Si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "202",
+   "metadata": {},
+   "source": [
+    "#### Final Remarks\n",
+    "\n",
+    "In this part of the notebook, you learned how to use EasyDiffraction\n",
+    "to refine lattice parameters of a more complex crystal structure,\n",
+    "La₀.₅Ba₀.₅CoO₃ (LBCO).\n",
+    "\n",
+    "In real experiments, you might also refine\n",
+    "additional parameters, such as atomic positions, occupancies, and\n",
+    "atomic displacement factors, to achieve an even better fit. For our\n",
+    "purposes, we'll stop here, as the goal was to give you a starting\n",
+    "point for analyzing more complex crystal structures with\n",
+    "EasyDiffraction."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "203",
+   "metadata": {},
+   "source": [
+    "## 🎁 Bonus\n",
+    "\n",
+    "Congratulations — you've now completed the diffraction data analysis\n",
+    "part of the DMSC Summer School!\n",
+    "\n",
+    "If you'd like to keep exploring, the EasyDiffraction library offers\n",
+    "many additional tutorials and examples on the official documentation\n",
+    "site: 👉 https://docs.easydiffraction.org/lib/tutorials/\n",
+    "\n",
+    "Besides the Python package, EasyDiffraction also comes with a\n",
+    "graphical user interface (GUI) that lets you perform similar analyses\n",
+    "without writing code. To be fair, it's not *quite* feature-complete\n",
+    "compared to the Python library yet — but we're working on it! 🚧\n",
+    "\n",
+    "If you prefer a point-and-click interface over coding, the GUI\n",
+    "provides a user-friendly way to analyze diffraction data. You can\n",
+    "download it as a standalone application here: 👉\n",
+    "https://easydiffraction.org\n",
+    "\n",
+    "We'd love to hear your feedback on EasyDiffraction — both the library\n",
+    "and the GUI! 💬"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "tags,title,-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-13.py b/docs/docs/tutorials/ed-13.py
similarity index 88%
rename from tutorials/ed-13.py
rename to docs/docs/tutorials/ed-13.py
index e2bf1110..42996532 100644
--- a/tutorials/ed-13.py
+++ b/docs/docs/tutorials/ed-13.py
@@ -52,11 +52,11 @@
 #
 # In EasyDiffraction, a project serves as a container for all
 # information related to the analysis of a specific experiment or set of
-# experiments. It enables you to organize your data, experiments, sample
-# models, and fitting parameters in a structured manner. You can think
-# of it as a folder containing all the essential details about your
-# analysis. The project also allows us to visualize both the measured
-# and calculated diffraction patterns, among other things.
+# experiments. It enables you to organize your data, experiments,
+# crystal structures, and fitting parameters in an organized manner. You
+# can think of it as a folder containing all the essential details about
+# your analysis. The project also allows us to visualize both the
+# measured and calculated diffraction patterns, among other things.
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
@@ -120,7 +120,7 @@
 # for more details about different types of experiments.
 
 # %%
-project_1.experiments.add(
+project_1.experiments.add_from_data_path(
     name='sim_si',
     data_path=si_xye_path,
     sample_form='powder',
@@ -185,8 +185,8 @@
 # for more details about excluding regions from the measured data.
 
 # %%
-project_1.experiments['sim_si'].excluded_regions.add(id='1', start=0, end=55000)
-project_1.experiments['sim_si'].excluded_regions.add(id='2', start=105500, end=200000)
+project_1.experiments['sim_si'].excluded_regions.create(id='1', start=0, end=55000)
+project_1.experiments['sim_si'].excluded_regions.create(id='2', start=105500, end=200000)
 
 # %% [markdown]
 # To visualize the effect of excluding the high TOF region, we can plot
@@ -212,7 +212,7 @@
 # TOF, respectively.
 #
 # You can set them manually, but it is more convenient to use the
-# `get_value_from_xye_header` function from the EasyDiffraction library.
+# `extract_metadata` function from the EasyDiffraction library.
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
@@ -220,11 +220,11 @@
 # for more details about the instrument parameters.
 
 # %%
-project_1.experiments['sim_si'].instrument.setup_twotheta_bank = ed.get_value_from_xye_header(
-    si_xye_path, 'two_theta'
+project_1.experiments['sim_si'].instrument.setup_twotheta_bank = ed.extract_metadata(
+    si_xye_path, r'two_theta\s*=\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)'
 )
-project_1.experiments['sim_si'].instrument.calib_d_to_tof_linear = ed.get_value_from_xye_header(
-    si_xye_path, 'DIFC'
+project_1.experiments['sim_si'].instrument.calib_d_to_tof_linear = ed.extract_metadata(
+    si_xye_path, r'DIFC\s*=\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)'
 )
 
 # %% [markdown]
@@ -355,25 +355,25 @@
 
 # %%
 project_1.experiments['sim_si'].background_type = 'line-segment'
-project_1.experiments['sim_si'].background.add(id='1', x=50000, y=0.01)
-project_1.experiments['sim_si'].background.add(id='2', x=60000, y=0.01)
-project_1.experiments['sim_si'].background.add(id='3', x=70000, y=0.01)
-project_1.experiments['sim_si'].background.add(id='4', x=80000, y=0.01)
-project_1.experiments['sim_si'].background.add(id='5', x=90000, y=0.01)
-project_1.experiments['sim_si'].background.add(id='6', x=100000, y=0.01)
-project_1.experiments['sim_si'].background.add(id='7', x=110000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='1', x=50000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='2', x=60000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='3', x=70000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='4', x=80000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='5', x=90000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='6', x=100000, y=0.01)
+project_1.experiments['sim_si'].background.create(id='7', x=110000, y=0.01)
 
 # %% [markdown]
-# ### 🧩 Create a Sample Model – Si
+# ### 🧩 Create a Structure – Si
 #
-# After setting up the experiment, we need to create a sample model that
+# After setting up the experiment, we need to create a structure that
 # describes the crystal structure of the sample being analyzed.
 #
-# In this case, we will create a sample model for silicon (Si) with a
-# cubic crystal structure. The sample model contains information about
+# In this case, we will create a structure for silicon (Si) with a
+# cubic crystal structure. The structure contains information about
 # the space group, lattice parameters, atomic positions of the atoms in
 # the unit cell, atom types, occupancies and atomic displacement
-# parameters. The sample model is essential for the fitting process, as
+# parameters. The structure is essential for the fitting process, as
 # it is used to calculate the expected diffraction pattern.
 #
 # EasyDiffraction refines the crystal structure of the sample, but does
@@ -435,54 +435,54 @@
 
 # %% [markdown]
 # As with adding the experiment in the previous step, we will create a
-# default sample model and then modify its parameters to match the Si
+# default structure and then modify its parameters to match the Si
 # structure.
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
-# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/model/)
-# for more details about sample models and their purpose in the data
+# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/)
+# for more details about structures and their purpose in the data
 # analysis workflow.
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project_1.sample_models.add(name='si')
+project_1.structures.create(name='si')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
-# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/model/#space-group-category)
+# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/#space-group-category)
 # for more details about the space group.
 
 # %%
-project_1.sample_models['si'].space_group.name_h_m = 'F d -3 m'
-project_1.sample_models['si'].space_group.it_coordinate_system_code = '2'
+project_1.structures['si'].space_group.name_h_m = 'F d -3 m'
+project_1.structures['si'].space_group.it_coordinate_system_code = '2'
 
 # %% [markdown]
 # #### Set Lattice Parameters
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
-# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/model/#cell-category)
+# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/#cell-category)
 # for more details about the unit cell parameters.
 
 # %%
-project_1.sample_models['si'].cell.length_a = 5.43
+project_1.structures['si'].cell.length_a = 5.43
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
-# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/model/#atom-sites-category)
+# [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/structure/#atom-sites-category)
 # for more details about the atom sites category.
 
 # %%
-project_1.sample_models['si'].atom_sites.add(
+project_1.structures['si'].atom_sites.create(
     label='Si',
     type_symbol='Si',
     fract_x=0,
@@ -493,29 +493,29 @@
 )
 
 # %% [markdown]
-# ### 🔗 Assign Sample Model to Experiment
+# ### 🔗 Assign Structure to Experiment
 #
-# Now we need to assign, or link, this sample model to the experiment
+# Now we need to assign, or link, this structure to the experiment
 # created above. This linked crystallographic phase will be used to
 # calculate the expected diffraction pattern based on the crystal
-# structure defined in the sample model.
+# structure defined in the structure.
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
 # [documentation](https://docs.easydiffraction.org/lib/user-guide/analysis-workflow/experiment/#linked-phases-category)
-# for more details about linking a sample model to an experiment.
+# for more details about linking a structure to an experiment.
 
 # %%
-project_1.experiments['sim_si'].linked_phases.add(id='si', scale=1.0)
+project_1.experiments['sim_si'].linked_phases.create(id='si', scale=1.0)
 
 # %% [markdown]
 # ### 🚀 Analyze and Fit the Data
 #
-# After setting up the experiment and sample model, we can now analyze
+# After setting up the experiment and structure, we can now analyze
 # the measured diffraction pattern and perform the fit. Building on the
 # analogies from the EasyScience library and the previous notebooks, we
 # can say that all the parameters we introduced earlier — those defining
-# the sample model (crystal structure parameters) and the experiment
+# the structure (crystal structure parameters) and the experiment
 # (instrument, background, and peak profile parameters) — together form
 # the complete set of parameters that can be refined during the fitting
 # process.
@@ -528,12 +528,12 @@
 # %% [markdown] **Reminder:**
 #
 # The fitting process involves comparing the measured diffraction
-# pattern with the calculated diffraction pattern based on the sample
-# model and instrument parameters. The goal is to adjust the parameters
-# of the sample model and the experiment to minimize the difference
-# between the measured and calculated diffraction patterns. This is done
-# by refining the parameters of the sample model and the instrument
-# settings to achieve a better fit.
+# pattern with the calculated diffraction pattern based on the crystal
+# structure and instrument parameters. The goal is to adjust the
+# parameters of the structure and the experiment to minimize the
+# difference between the measured and calculated diffraction patterns.
+# This is done by refining the parameters of the structure and the
+# instrument settings to achieve a better fit.
 
 # %% [markdown] tags=["doc-link"]
 # 📖 See
@@ -593,7 +593,7 @@
 #
 # Before performing the fit, we can visually compare the measured
 # diffraction pattern with the calculated diffraction pattern based on
-# the initial parameters of the sample model and the instrument. This
+# the initial parameters of the structure and the instrument. This
 # provides an indication of how well the initial parameters match the
 # measured data. The `plot_meas_vs_calc` method of the project allows
 # this comparison.
@@ -670,7 +670,7 @@
 # setting the `d_spacing` parameter to `True`.
 
 # %%
-project_1.plot_meas_vs_calc(expt_name='sim_si', d_spacing=True)
+project_1.plot_meas_vs_calc(expt_name='sim_si', x='d_spacing')
 
 # %% [markdown]
 # As you can see, the calculated diffraction pattern now matches the
@@ -689,7 +689,7 @@
 #
 # Before moving on, we can save the project to disk for later use. This
 # will preserve the entire project structure, including experiments,
-# sample models, and fitting results. The project is saved into a
+# structures, and fitting results. The project is saved into a
 # directory specified by the `dir_path` attribute of the project object.
 
 # %%
@@ -753,7 +753,7 @@
 # reduced data file is missing.
 lbco_xye_path = ed.download_data(id=18, destination=data_dir)
 
-project_2.experiments.add(
+project_2.experiments.add_from_data_path(
     name='sim_lbco',
     data_path=lbco_xye_path,
     sample_form='powder',
@@ -783,8 +783,8 @@
 # %% tags=["solution", "hide-input"]
 project_2.plot_meas(expt_name='sim_lbco')
 
-project_2.experiments['sim_lbco'].excluded_regions.add(id='1', start=0, end=55000)
-project_2.experiments['sim_lbco'].excluded_regions.add(id='2', start=105500, end=200000)
+project_2.experiments['sim_lbco'].excluded_regions.create(id='1', start=0, end=55000)
+project_2.experiments['sim_lbco'].excluded_regions.create(id='2', start=105500, end=200000)
 
 project_2.plot_meas(expt_name='sim_lbco')
 
@@ -804,11 +804,11 @@
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.experiments['sim_lbco'].instrument.setup_twotheta_bank = ed.get_value_from_xye_header(
-    lbco_xye_path, 'two_theta'
+project_2.experiments['sim_lbco'].instrument.setup_twotheta_bank = ed.extract_metadata(
+    lbco_xye_path, r'two_theta\s*=\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)'
 )
-project_2.experiments['sim_lbco'].instrument.calib_d_to_tof_linear = ed.get_value_from_xye_header(
-    lbco_xye_path, 'DIFC'
+project_2.experiments['sim_lbco'].instrument.calib_d_to_tof_linear = ed.extract_metadata(
+    lbco_xye_path, r'DIFC\s*=\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)'
 )
 
 # %% [markdown]
@@ -861,20 +861,20 @@
 
 # %% tags=["solution", "hide-input"]
 project_2.experiments['sim_lbco'].background_type = 'line-segment'
-project_2.experiments['sim_lbco'].background.add(id='1', x=50000, y=0.2)
-project_2.experiments['sim_lbco'].background.add(id='2', x=60000, y=0.2)
-project_2.experiments['sim_lbco'].background.add(id='3', x=70000, y=0.2)
-project_2.experiments['sim_lbco'].background.add(id='4', x=80000, y=0.2)
-project_2.experiments['sim_lbco'].background.add(id='5', x=90000, y=0.2)
-project_2.experiments['sim_lbco'].background.add(id='6', x=100000, y=0.2)
-project_2.experiments['sim_lbco'].background.add(id='7', x=110000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='1', x=50000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='2', x=60000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='3', x=70000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='4', x=80000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='5', x=90000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='6', x=100000, y=0.2)
+project_2.experiments['sim_lbco'].background.create(id='7', x=110000, y=0.2)
 
 # %% [markdown]
-# ### 🧩 Exercise 3: Define a Sample Model – LBCO
+# ### 🧩 Exercise 3: Define a Structure – LBCO
 #
-# The LBSO structure is not as simple as the Si model, as it contains
+# The LBSO structure is not as simple as the Si one, as it contains
 # multiple atoms in the unit cell. It is not in COD, so we give you the
-# structural parameters in CIF format to create the sample model.
+# structural parameters in CIF format to create the structure.
 #
 # Note that those parameters are not necessarily the most accurate ones,
 # but they are a good starting point for the fit. The aim of the study
@@ -914,7 +914,7 @@
 # Note that the `occupancy` of the La and Ba atoms is 0.5
 # and those atoms are located in the same position (0, 0, 0) in the unit
 # cell. This means that an extra attribute `occupancy` needs to be set
-# for those atoms later in the sample model.
+# for those atoms later in the structure.
 #
 # We model the La/Ba site using the virtual crystal approximation. In
 # this approach, the scattering is taken as a weighted average of La and
@@ -936,9 +936,9 @@
 #    of the random case and the extra peaks of the ordered case.
 
 # %% [markdown]
-# #### Exercise 3.1: Create Sample Model
+# #### Exercise 3.1: Create Structure
 #
-# Add a sample model for LBCO to the project. The sample model
+# Add a structure for LBCO to the project. The structure
 # parameters will be set in the next exercises.
 
 # %% [markdown]
@@ -946,19 +946,19 @@
 
 # %% [markdown] tags=["dmsc-school-hint"]
 # You can use the same approach as in the previous part of the notebook,
-# but this time you need to use the model name corresponding to the LBCO
+# but this time you need to use the name corresponding to the LBCO
 # structure, e.g. 'lbco'.
 
 # %% [markdown]
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.sample_models.add(name='lbco')
+project_2.structures.create(name='lbco')
 
 # %% [markdown]
 # #### Exercise 3.2: Set Space Group
 #
-# Set the space group for the LBCO sample model.
+# Set the space group for the LBCO structure.
 
 # %% [markdown]
 # **Hint:**
@@ -971,13 +971,13 @@
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.sample_models['lbco'].space_group.name_h_m = 'P m -3 m'
-project_2.sample_models['lbco'].space_group.it_coordinate_system_code = '1'
+project_2.structures['lbco'].space_group.name_h_m = 'P m -3 m'
+project_2.structures['lbco'].space_group.it_coordinate_system_code = '1'
 
 # %% [markdown]
 # #### Exercise 3.3: Set Lattice Parameters
 #
-# Set the lattice parameters for the LBCO sample model.
+# Set the lattice parameters for the LBCO structure.
 
 # %% [markdown]
 # **Hint:**
@@ -989,25 +989,25 @@
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.sample_models['lbco'].cell.length_a = 3.88
+project_2.structures['lbco'].cell.length_a = 3.88
 
 # %% [markdown]
 # #### Exercise 3.4: Set Atom Sites
 #
-# Set the atom sites for the LBCO sample model.
+# Set the atom sites for the LBCO structure.
 
 # %% [markdown]
 # **Hint:**
 
 # %% [markdown] tags=["dmsc-school-hint"]
 # Use the atom sites from the CIF data. You can use the `add` method of
-# the `atom_sites` attribute of the sample model to add the atom sites.
+# the `atom_sites` attribute of the structure to add the atom sites.
 
 # %% [markdown]
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.sample_models['lbco'].atom_sites.add(
+project_2.structures['lbco'].atom_sites.create(
     label='La',
     type_symbol='La',
     fract_x=0,
@@ -1017,7 +1017,7 @@
     b_iso=0.95,
     occupancy=0.5,
 )
-project_2.sample_models['lbco'].atom_sites.add(
+project_2.structures['lbco'].atom_sites.create(
     label='Ba',
     type_symbol='Ba',
     fract_x=0,
@@ -1027,7 +1027,7 @@
     b_iso=0.95,
     occupancy=0.5,
 )
-project_2.sample_models['lbco'].atom_sites.add(
+project_2.structures['lbco'].atom_sites.create(
     label='Co',
     type_symbol='Co',
     fract_x=0.5,
@@ -1036,7 +1036,7 @@
     wyckoff_letter='b',
     b_iso=0.80,
 )
-project_2.sample_models['lbco'].atom_sites.add(
+project_2.structures['lbco'].atom_sites.create(
     label='O',
     type_symbol='O',
     fract_x=0,
@@ -1047,22 +1047,22 @@
 )
 
 # %% [markdown]
-# ### 🔗 Exercise 4: Assign Sample Model to Experiment
+# ### 🔗 Exercise 4: Assign Structure to Experiment
 #
-# Now assign the LBCO sample model to the experiment created above.
+# Now assign the LBCO structure to the experiment created above.
 
 # %% [markdown]
 # **Hint:**
 
 # %% [markdown] tags=["dmsc-school-hint"]
-# Use the `linked_phases` attribute of the experiment to link the sample
-# model.
+# Use the `linked_phases` attribute of the experiment to link the
+# crystal structure.
 
 # %% [markdown]
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.experiments['sim_lbco'].linked_phases.add(id='lbco', scale=1.0)
+project_2.experiments['sim_lbco'].linked_phases.create(id='lbco', scale=1.0)
 
 # %% [markdown]
 # ### 🚀 Exercise 5: Analyze and Fit the Data
@@ -1176,7 +1176,7 @@
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.sample_models['lbco'].cell.length_a.free = True
+project_2.structures['lbco'].cell.length_a.free = True
 
 project_2.analysis.fit()
 project_2.analysis.show_fit_results()
@@ -1208,7 +1208,7 @@
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.plot_meas_vs_calc(expt_name='sim_lbco', d_spacing=True)
+project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing')
 
 # %% [markdown]
 # #### Exercise 5.6: Refine the Peak Profile Parameters
@@ -1225,7 +1225,7 @@
 # perfectly describe the peak at about 1.38 Å, as can be seen below:
 
 # %%
-project_2.plot_meas_vs_calc(expt_name='sim_lbco', d_spacing=True, x_min=1.35, x_max=1.40)
+project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.35, x_max=1.40)
 
 # %% [markdown]
 # The peak profile parameters are determined based on both the
@@ -1260,7 +1260,7 @@
 project_2.analysis.fit()
 project_2.analysis.show_fit_results()
 
-project_2.plot_meas_vs_calc(expt_name='sim_lbco', d_spacing=True, x_min=1.35, x_max=1.40)
+project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.35, x_max=1.40)
 
 # %% [markdown]
 # #### Exercise 5.7: Find Undefined Features
@@ -1283,7 +1283,7 @@
 # **Solution:**
 
 # %% tags=["solution", "hide-input"]
-project_2.plot_meas_vs_calc(expt_name='sim_lbco', x_min=1.53, x_max=1.7, d_spacing=True)
+project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1.53, x_max=1.7)
 
 # %% [markdown]
 # #### Exercise 5.8: Identify the Cause of the Unexplained Peaks
@@ -1348,14 +1348,14 @@
 # confirm this hypothesis.
 
 # %% tags=["solution", "hide-input"]
-project_1.plot_meas_vs_calc(expt_name='sim_si', x_min=1, x_max=1.7, d_spacing=True)
-project_2.plot_meas_vs_calc(expt_name='sim_lbco', x_min=1, x_max=1.7, d_spacing=True)
+project_1.plot_meas_vs_calc(expt_name='sim_si', x='d_spacing', x_min=1, x_max=1.7)
+project_2.plot_meas_vs_calc(expt_name='sim_lbco', x='d_spacing', x_min=1, x_max=1.7)
 
 # %% [markdown]
-# #### Exercise 5.10: Create a Second Sample Model – Si as Impurity
+# #### Exercise 5.10: Create a Second Structure – Si as Impurity
 #
-# Create a second sample model for the Si phase, which is the impurity
-# phase identified in the previous step. Link this sample model to the
+# Create a second structure for the Si phase, which is the impurity
+# phase identified in the previous step. Link this structure to the
 # LBCO experiment.
 
 # %% [markdown]
@@ -1363,7 +1363,7 @@
 
 # %% [markdown] tags=["dmsc-school-hint"]
 # You can use the same approach as in the previous part of the notebook,
-# but this time you need to create a sample model for Si and link it to
+# but this time you need to create a structure for Si and link it to
 # the LBCO experiment.
 
 # %% [markdown]
@@ -1371,15 +1371,15 @@
 
 # %% tags=["solution", "hide-input"]
 # Set Space Group
-project_2.sample_models.add(name='si')
-project_2.sample_models['si'].space_group.name_h_m = 'F d -3 m'
-project_2.sample_models['si'].space_group.it_coordinate_system_code = '2'
+project_2.structures.create(name='si')
+project_2.structures['si'].space_group.name_h_m = 'F d -3 m'
+project_2.structures['si'].space_group.it_coordinate_system_code = '2'
 
 # Set Lattice Parameters
-project_2.sample_models['si'].cell.length_a = 5.43
+project_2.structures['si'].cell.length_a = 5.43
 
 # Set Atom Sites
-project_2.sample_models['si'].atom_sites.add(
+project_2.structures['si'].atom_sites.create(
     label='Si',
     type_symbol='Si',
     fract_x=0,
@@ -1389,8 +1389,8 @@
     b_iso=0.89,
 )
 
-# Assign Sample Model to Experiment
-project_2.experiments['sim_lbco'].linked_phases.add(id='si', scale=1.0)
+# Assign Structure to Experiment
+project_2.experiments['sim_lbco'].linked_phases.create(id='si', scale=1.0)
 
 # %% [markdown]
 # #### Exercise 5.11: Refine the Scale of the Si Phase
@@ -1443,7 +1443,7 @@
 #
 # To review the analysis results, you can generate and print a summary
 # report using the `show_report()` method, as demonstrated in the cell
-# below. The report includes parameters related to the sample model and
+# below. The report includes parameters related to the structure and
 # the experiment, such as the refined unit cell parameter `a` of LBCO.
 #
 # Information about the crystal or magnetic structure, along with
diff --git a/docs/docs/tutorials/ed-14.ipynb b/docs/docs/tutorials/ed-14.ipynb
new file mode 100644
index 00000000..25927d6a
--- /dev/null
+++ b/docs/docs/tutorials/ed-14.ipynb
@@ -0,0 +1,319 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: Tb2TiO7, HEiDi\n",
+    "\n",
+    "Crystal structure refinement of Tb2TiO7 using single crystal neutron\n",
+    "diffraction data from HEiDi at FRM II."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Step 1: Define Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Create minimal project without name and description\n",
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Step 2: Define Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Download CIF file from repository\n",
+    "structure_path = ed.download_data(id=20, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add_from_cif_path(structure_path)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.show_names()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = project.structures['tbti']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites['Tb'].b_iso = 0.0\n",
+    "structure.atom_sites['Ti'].b_iso = 0.0\n",
+    "structure.atom_sites['O1'].b_iso = 0.0\n",
+    "structure.atom_sites['O2'].b_iso = 0.0"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "11",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "12",
+   "metadata": {},
+   "source": [
+    "## Step 3: Define Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=19, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='heidi',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='single crystal',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = project.experiments['heidi']  # TODO: <heidi (None)>"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_crystal.id = 'tbti'\n",
+    "experiment.linked_crystal.scale = 1.0"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "17",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.instrument.setup_wavelength = 0.793"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.extinction.mosaicity = 29820\n",
+    "experiment.extinction.radius = 30"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "## Step 4: Perform Analysis"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='heidi')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_crystal.scale.free = True\n",
+    "experiment.extinction.radius.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Start refinement. All parameters, which have standard uncertainties\n",
+    "# in the input CIF files, are refined by default.\n",
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Show fit results summary\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.show_names()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "27",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='heidi')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "28",
+   "metadata": {},
+   "source": [
+    "## Step 5: Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "29",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/docs/docs/tutorials/ed-14.py b/docs/docs/tutorials/ed-14.py
new file mode 100644
index 00000000..eaa3da2a
--- /dev/null
+++ b/docs/docs/tutorials/ed-14.py
@@ -0,0 +1,109 @@
+# %% [markdown]
+# # Structure Refinement: Tb2TiO7, HEiDi
+#
+# Crystal structure refinement of Tb2TiO7 using single crystal neutron
+# diffraction data from HEiDi at FRM II.
+
+# %% [markdown]
+# ## Import Library
+
+# %%
+import easydiffraction as ed
+
+# %% [markdown]
+# ## Step 1: Define Project
+
+# %%
+# Create minimal project without name and description
+project = ed.Project()
+
+# %% [markdown]
+# ## Step 2: Define Structure
+
+# %%
+# Download CIF file from repository
+structure_path = ed.download_data(id=20, destination='data')
+
+# %%
+project.structures.add_from_cif_path(structure_path)
+
+# %%
+project.structures.show_names()
+
+# %%
+structure = project.structures['tbti']
+
+# %%
+structure.atom_sites['Tb'].b_iso = 0.0
+structure.atom_sites['Ti'].b_iso = 0.0
+structure.atom_sites['O1'].b_iso = 0.0
+structure.atom_sites['O2'].b_iso = 0.0
+
+# %%
+structure.show_as_cif()
+
+# %% [markdown]
+# ## Step 3: Define Experiment
+
+# %%
+data_path = ed.download_data(id=19, destination='data')
+
+# %%
+project.experiments.add_from_data_path(
+    name='heidi',
+    data_path=data_path,
+    sample_form='single crystal',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+)
+
+# %%
+experiment = project.experiments['heidi']  # TODO: <heidi (None)>
+
+# %%
+experiment.linked_crystal.id = 'tbti'
+experiment.linked_crystal.scale = 1.0
+
+# %%
+experiment.instrument.setup_wavelength = 0.793
+
+# %%
+experiment.extinction.mosaicity = 29820
+experiment.extinction.radius = 30
+
+# %% [markdown]
+# ## Step 4: Perform Analysis
+
+# %%
+project.plot_meas_vs_calc(expt_name='heidi')
+
+# %%
+experiment.linked_crystal.scale.free = True
+experiment.extinction.radius.free = True
+
+# %%
+experiment.show_as_cif()
+
+# %%
+# Start refinement. All parameters, which have standard uncertainties
+# in the input CIF files, are refined by default.
+project.analysis.fit()
+
+# %%
+# Show fit results summary
+project.analysis.show_fit_results()
+
+# %%
+experiment.show_as_cif()
+
+# %%
+project.experiments.show_names()
+
+# %%
+project.plot_meas_vs_calc(expt_name='heidi')
+
+# %% [markdown]
+# ## Step 5: Show Project Summary
+
+# %%
+project.summary.show_report()
diff --git a/docs/docs/tutorials/ed-15.ipynb b/docs/docs/tutorials/ed-15.ipynb
new file mode 100644
index 00000000..a426f2ee
--- /dev/null
+++ b/docs/docs/tutorials/ed-15.ipynb
@@ -0,0 +1,296 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: Taurine, SENJU\n",
+    "\n",
+    "Crystal structure refinement of Taurine using time-of-flight single\n",
+    "crystal neutron diffraction data from SENJU at J-PARC."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Step 1: Define Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Create minimal project without name and description\n",
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Step 2: Define Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Download CIF file from repository\n",
+    "structure_path = ed.download_data(id=21, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add_from_cif_path(structure_path)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.show_names()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = project.structures['taurine']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# structure.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Step 3: Define Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=22, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='senju',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='single crystal',\n",
+    "    beam_mode='time-of-flight',\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = project.experiments['senju']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_crystal.id = 'taurine'\n",
+    "experiment.linked_crystal.scale = 1.0"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.extinction.mosaicity = 1000.0\n",
+    "experiment.extinction.radius = 100.0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "## Step 4: Perform Analysis"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='senju')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "19",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_crystal.scale.free = True\n",
+    "experiment.extinction.radius.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# experiment.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Start refinement. All parameters, which have standard uncertainties\n",
+    "# in the input CIF files, are refined by default.\n",
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Show fit results summary\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# experiment.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.show_names()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='senju')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "26",
+   "metadata": {},
+   "source": [
+    "## Step 5: Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "27",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/docs/docs/tutorials/ed-15.py b/docs/docs/tutorials/ed-15.py
new file mode 100644
index 00000000..4ae4933a
--- /dev/null
+++ b/docs/docs/tutorials/ed-15.py
@@ -0,0 +1,100 @@
+# %% [markdown]
+# # Structure Refinement: Taurine, SENJU
+#
+# Crystal structure refinement of Taurine using time-of-flight single
+# crystal neutron diffraction data from SENJU at J-PARC.
+
+# %% [markdown]
+# ## Import Library
+
+# %%
+import easydiffraction as ed
+
+# %% [markdown]
+# ## Step 1: Define Project
+
+# %%
+# Create minimal project without name and description
+project = ed.Project()
+
+# %% [markdown]
+# ## Step 2: Define Structure
+
+# %%
+# Download CIF file from repository
+structure_path = ed.download_data(id=21, destination='data')
+
+# %%
+project.structures.add_from_cif_path(structure_path)
+
+# %%
+project.structures.show_names()
+
+# %%
+structure = project.structures['taurine']
+
+# %%
+# structure.show_as_cif()
+
+# %% [markdown]
+# ## Step 3: Define Experiment
+
+# %%
+data_path = ed.download_data(id=22, destination='data')
+
+# %%
+project.experiments.add_from_data_path(
+    name='senju',
+    data_path=data_path,
+    sample_form='single crystal',
+    beam_mode='time-of-flight',
+    radiation_probe='neutron',
+)
+
+# %%
+experiment = project.experiments['senju']
+
+# %%
+experiment.linked_crystal.id = 'taurine'
+experiment.linked_crystal.scale = 1.0
+
+# %%
+experiment.extinction.mosaicity = 1000.0
+experiment.extinction.radius = 100.0
+
+# %% [markdown]
+# ## Step 4: Perform Analysis
+
+# %%
+project.plot_meas_vs_calc(expt_name='senju')
+
+# %%
+experiment.linked_crystal.scale.free = True
+experiment.extinction.radius.free = True
+
+# %%
+# experiment.show_as_cif()
+
+# %%
+# Start refinement. All parameters, which have standard uncertainties
+# in the input CIF files, are refined by default.
+project.analysis.fit()
+
+# %%
+# Show fit results summary
+project.analysis.show_fit_results()
+
+# %%
+# experiment.show_as_cif()
+
+# %%
+project.experiments.show_names()
+
+# %%
+project.plot_meas_vs_calc(expt_name='senju')
+
+# %% [markdown]
+# ## Step 5: Show Project Summary
+
+# %%
+project.summary.show_report()
diff --git a/docs/docs/tutorials/ed-16.ipynb b/docs/docs/tutorials/ed-16.ipynb
new file mode 100644
index 00000000..688297e6
--- /dev/null
+++ b/docs/docs/tutorials/ed-16.ipynb
@@ -0,0 +1,623 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Joint Refinement: Si, Bragg + PDF\n",
+    "\n",
+    "This example demonstrates a joint refinement of the Si crystal\n",
+    "structure combining Bragg diffraction and pair distribution function\n",
+    "(PDF) analysis. The Bragg experiment uses time-of-flight neutron\n",
+    "powder diffraction data from SEPD at Argonne, while the PDF\n",
+    "experiment uses data from NOMAD at SNS. A single shared Si structure\n",
+    "is refined simultaneously against both datasets."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structure\n",
+    "\n",
+    "A single Si structure is shared between the Bragg and PDF\n",
+    "experiments. Structural parameters refined against both datasets\n",
+    "simultaneously.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'F d -3 m'\n",
+    "structure.space_group.it_coordinate_system_code = '1'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 5.42"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.2,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Define Experiments\n",
+    "\n",
+    "Two experiments are defined: one for Bragg diffraction and one for\n",
+    "PDF analysis. Both are linked to the same Si structure.\n",
+    "\n",
+    "### Experiment 1: Bragg (SEPD, TOF)\n",
+    "\n",
+    "#### Download Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_data_path = download_data(id=7, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_expt = ExperimentFactory.from_data_path(\n",
+    "    name='sepd', data_path=bragg_data_path, beam_mode='time-of-flight'\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_expt.instrument.setup_twotheta_bank = 144.845\n",
+    "bragg_expt.instrument.calib_d_to_tof_offset = -9.2\n",
+    "bragg_expt.instrument.calib_d_to_tof_linear = 7476.91\n",
+    "bragg_expt.instrument.calib_d_to_tof_quad = -1.54"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'\n",
+    "bragg_expt.peak.broad_gauss_sigma_0 = 5.0\n",
+    "bragg_expt.peak.broad_gauss_sigma_1 = 45.0\n",
+    "bragg_expt.peak.broad_gauss_sigma_2 = 1.0\n",
+    "bragg_expt.peak.broad_mix_beta_0 = 0.04221\n",
+    "bragg_expt.peak.broad_mix_beta_1 = 0.00946\n",
+    "bragg_expt.peak.asym_alpha_0 = 0.0\n",
+    "bragg_expt.peak.asym_alpha_1 = 0.5971"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_expt.background_type = 'line-segment'\n",
+    "for x in range(0, 35000, 5000):\n",
+    "    bragg_expt.background.create(id=str(x), x=x, y=200)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_expt.linked_phases.create(id='si', scale=13.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "### Experiment 2: PDF (NOMAD, TOF)\n",
+    "\n",
+    "#### Download Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "pdf_data_path = download_data(id=5, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "pdf_expt = ExperimentFactory.from_data_path(\n",
+    "    name='nomad',\n",
+    "    data_path=pdf_data_path,\n",
+    "    beam_mode='time-of-flight',\n",
+    "    scattering_type='total',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile (PDF Parameters)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "pdf_expt.peak.damp_q = 0.02\n",
+    "pdf_expt.peak.broad_q = 0.02\n",
+    "pdf_expt.peak.cutoff_q = 35.0\n",
+    "pdf_expt.peak.sharp_delta_1 = 0.001\n",
+    "pdf_expt.peak.sharp_delta_2 = 4.0\n",
+    "pdf_expt.peak.damp_particle_diameter = 0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "30",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "pdf_expt.linked_phases.create(id='si', scale=1.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "31",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object manages the shared structure, both experiments,\n",
+    "and the analysis.\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "32",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "33",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "34",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "35",
+   "metadata": {},
+   "source": [
+    "#### Add Experiments"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "36",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(bragg_expt)\n",
+    "project.experiments.add(pdf_expt)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "37",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section shows the joint analysis process. The calculator is\n",
+    "auto-resolved per experiment: CrysPy for Bragg, PDFfit for PDF.\n",
+    "\n",
+    "#### Set Fit Mode and Weights"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "38",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit_mode.mode = 'joint'\n",
+    "project.analysis.joint_fit_experiments.create(id='sepd', weight=0.7)\n",
+    "project.analysis.joint_fit_experiments.create(id='nomad', weight=0.3)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {},
+   "source": [
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated (Before Fit)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=False)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "43",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='nomad', show_residual=False)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "44",
+   "metadata": {},
+   "source": [
+    "#### Set Fitting Parameters\n",
+    "\n",
+    "Shared structural parameters are refined against both datasets\n",
+    "simultaneously."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "45",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "structure.atom_sites['Si'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "46",
+   "metadata": {},
+   "source": [
+    "Bragg experiment parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "47",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "bragg_expt.linked_phases['si'].scale.free = True\n",
+    "bragg_expt.instrument.calib_d_to_tof_offset.free = True\n",
+    "bragg_expt.peak.broad_gauss_sigma_0.free = True\n",
+    "bragg_expt.peak.broad_gauss_sigma_1.free = True\n",
+    "bragg_expt.peak.broad_gauss_sigma_2.free = True\n",
+    "for point in bragg_expt.background:\n",
+    "    point.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "48",
+   "metadata": {},
+   "source": [
+    "PDF experiment parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "49",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "pdf_expt.linked_phases['si'].scale.free = True\n",
+    "pdf_expt.peak.damp_q.free = True\n",
+    "pdf_expt.peak.broad_q.free = True\n",
+    "pdf_expt.peak.sharp_delta_1.free = True\n",
+    "pdf_expt.peak.sharp_delta_2.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "50",
+   "metadata": {},
+   "source": [
+    "#### Show Free Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "51",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "52",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "53",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "54",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated (After Fit)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "55",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=False)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "56",
+   "metadata": {
+    "lines_to_next_cell": 2
+   },
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='nomad', show_residual=False)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "57",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/docs/docs/tutorials/ed-16.py b/docs/docs/tutorials/ed-16.py
new file mode 100644
index 00000000..e57f8449
--- /dev/null
+++ b/docs/docs/tutorials/ed-16.py
@@ -0,0 +1,259 @@
+# %% [markdown]
+# # Joint Refinement: Si, Bragg + PDF
+#
+# This example demonstrates a joint refinement of the Si crystal
+# structure combining Bragg diffraction and pair distribution function
+# (PDF) analysis. The Bragg experiment uses time-of-flight neutron
+# powder diffraction data from SEPD at Argonne, while the PDF
+# experiment uses data from NOMAD at SNS. A single shared Si structure
+# is refined simultaneously against both datasets.
+
+# %% [markdown]
+# ## Import Library
+
+# %%
+from easydiffraction import ExperimentFactory
+from easydiffraction import Project
+from easydiffraction import StructureFactory
+from easydiffraction import download_data
+
+# %% [markdown]
+# ## Define Structure
+#
+# A single Si structure is shared between the Bragg and PDF
+# experiments. Structural parameters refined against both datasets
+# simultaneously.
+#
+# #### Create Structure
+
+# %%
+structure = StructureFactory.from_scratch(name='si')
+
+# %% [markdown]
+# #### Set Space Group
+
+# %%
+structure.space_group.name_h_m = 'F d -3 m'
+structure.space_group.it_coordinate_system_code = '1'
+
+# %% [markdown]
+# #### Set Unit Cell
+
+# %%
+structure.cell.length_a = 5.42
+
+# %% [markdown]
+# #### Set Atom Sites
+
+# %%
+structure.atom_sites.create(
+    label='Si',
+    type_symbol='Si',
+    fract_x=0,
+    fract_y=0,
+    fract_z=0,
+    wyckoff_letter='a',
+    b_iso=0.2,
+)
+
+# %% [markdown]
+# ## Define Experiments
+#
+# Two experiments are defined: one for Bragg diffraction and one for
+# PDF analysis. Both are linked to the same Si structure.
+#
+# ### Experiment 1: Bragg (SEPD, TOF)
+#
+# #### Download Data
+
+# %%
+bragg_data_path = download_data(id=7, destination='data')
+
+# %% [markdown]
+# #### Create Experiment
+
+# %%
+bragg_expt = ExperimentFactory.from_data_path(
+    name='sepd', data_path=bragg_data_path, beam_mode='time-of-flight'
+)
+
+# %% [markdown]
+# #### Set Instrument
+
+# %%
+bragg_expt.instrument.setup_twotheta_bank = 144.845
+bragg_expt.instrument.calib_d_to_tof_offset = -9.2
+bragg_expt.instrument.calib_d_to_tof_linear = 7476.91
+bragg_expt.instrument.calib_d_to_tof_quad = -1.54
+
+# %% [markdown]
+# #### Set Peak Profile
+
+# %%
+bragg_expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'
+bragg_expt.peak.broad_gauss_sigma_0 = 5.0
+bragg_expt.peak.broad_gauss_sigma_1 = 45.0
+bragg_expt.peak.broad_gauss_sigma_2 = 1.0
+bragg_expt.peak.broad_mix_beta_0 = 0.04221
+bragg_expt.peak.broad_mix_beta_1 = 0.00946
+bragg_expt.peak.asym_alpha_0 = 0.0
+bragg_expt.peak.asym_alpha_1 = 0.5971
+
+# %% [markdown]
+# #### Set Background
+
+# %%
+bragg_expt.background_type = 'line-segment'
+for x in range(0, 35000, 5000):
+    bragg_expt.background.create(id=str(x), x=x, y=200)
+
+# %% [markdown]
+# #### Set Linked Phases
+
+# %%
+bragg_expt.linked_phases.create(id='si', scale=13.0)
+
+# %% [markdown]
+# ### Experiment 2: PDF (NOMAD, TOF)
+#
+# #### Download Data
+
+# %%
+pdf_data_path = download_data(id=5, destination='data')
+
+# %% [markdown]
+# #### Create Experiment
+
+# %%
+pdf_expt = ExperimentFactory.from_data_path(
+    name='nomad',
+    data_path=pdf_data_path,
+    beam_mode='time-of-flight',
+    scattering_type='total',
+)
+
+# %% [markdown]
+# #### Set Peak Profile (PDF Parameters)
+
+# %%
+pdf_expt.peak.damp_q = 0.02
+pdf_expt.peak.broad_q = 0.02
+pdf_expt.peak.cutoff_q = 35.0
+pdf_expt.peak.sharp_delta_1 = 0.001
+pdf_expt.peak.sharp_delta_2 = 4.0
+pdf_expt.peak.damp_particle_diameter = 0
+
+# %% [markdown]
+# #### Set Linked Phases
+
+# %%
+pdf_expt.linked_phases.create(id='si', scale=1.0)
+
+# %% [markdown]
+# ## Define Project
+#
+# The project object manages the shared structure, both experiments,
+# and the analysis.
+#
+# #### Create Project
+
+# %%
+project = Project()
+
+# %% [markdown]
+# #### Add Structure
+
+# %%
+project.structures.add(structure)
+
+# %% [markdown]
+# #### Add Experiments
+
+# %%
+project.experiments.add(bragg_expt)
+project.experiments.add(pdf_expt)
+
+# %% [markdown]
+# ## Perform Analysis
+#
+# This section shows the joint analysis process. The calculator is
+# auto-resolved per experiment: CrysPy for Bragg, PDFfit for PDF.
+#
+# #### Set Fit Mode and Weights
+
+# %%
+project.analysis.fit_mode.mode = 'joint'
+project.analysis.joint_fit_experiments.create(id='sepd', weight=0.7)
+project.analysis.joint_fit_experiments.create(id='nomad', weight=0.3)
+
+# %% [markdown]
+# #### Set Minimizer
+
+# %%
+project.analysis.current_minimizer = 'lmfit'
+
+# %% [markdown]
+# #### Plot Measured vs Calculated (Before Fit)
+
+# %%
+project.plot_meas_vs_calc(expt_name='sepd', show_residual=False)
+
+# %%
+project.plot_meas_vs_calc(expt_name='nomad', show_residual=False)
+
+# %% [markdown]
+# #### Set Fitting Parameters
+#
+# Shared structural parameters are refined against both datasets
+# simultaneously.
+
+# %%
+structure.cell.length_a.free = True
+structure.atom_sites['Si'].b_iso.free = True
+
+# %% [markdown]
+# Bragg experiment parameters.
+
+# %%
+bragg_expt.linked_phases['si'].scale.free = True
+bragg_expt.instrument.calib_d_to_tof_offset.free = True
+bragg_expt.peak.broad_gauss_sigma_0.free = True
+bragg_expt.peak.broad_gauss_sigma_1.free = True
+bragg_expt.peak.broad_gauss_sigma_2.free = True
+for point in bragg_expt.background:
+    point.y.free = True
+
+# %% [markdown]
+# PDF experiment parameters.
+
+# %%
+pdf_expt.linked_phases['si'].scale.free = True
+pdf_expt.peak.damp_q.free = True
+pdf_expt.peak.broad_q.free = True
+pdf_expt.peak.sharp_delta_1.free = True
+pdf_expt.peak.sharp_delta_2.free = True
+
+# %% [markdown]
+# #### Show Free Parameters
+
+# %%
+project.analysis.show_free_params()
+
+# %% [markdown]
+# #### Run Fitting
+
+# %%
+project.analysis.fit()
+project.analysis.show_fit_results()
+
+# %% [markdown]
+# #### Plot Measured vs Calculated (After Fit)
+
+# %%
+project.plot_meas_vs_calc(expt_name='sepd', show_residual=False)
+
+# %%
+project.plot_meas_vs_calc(expt_name='nomad', show_residual=False)
+
+
+# %%
diff --git a/docs/docs/tutorials/ed-17.ipynb b/docs/docs/tutorials/ed-17.ipynb
new file mode 100644
index 00000000..a6500f67
--- /dev/null
+++ b/docs/docs/tutorials/ed-17.ipynb
@@ -0,0 +1,658 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: Co2SiO4, D20 (T-scan)\n",
+    "\n",
+    "This example demonstrates a Rietveld refinement of the Co2SiO4 crystal\n",
+    "structure using constant-wavelength neutron powder diffraction data\n",
+    "from D20 at ILL. A sequential refinement of the same structure against\n",
+    "a temperature scan is performed to show how to manage multiple\n",
+    "experiments in a project."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Step 1: Define Project\n",
+    "\n",
+    "The project object manages structures, experiments, and analysis."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "Set output verbosity level to \"short\" to show only one-line status\n",
+    "messages during the analysis process."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.verbosity = 'short'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Step 2: Define Crystal Structure\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.create(name='cosio')\n",
+    "structure = project.structures['cosio']"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'P n m a'\n",
+    "structure.space_group.it_coordinate_system_code = 'abc'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 10.31\n",
+    "structure.cell.length_b = 6.0\n",
+    "structure.cell.length_c = 4.79"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Co1',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.3,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Co2',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0.279,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.985,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.3,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0.094,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.429,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.34,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O1',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.091,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.771,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.63,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O2',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.448,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.217,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.59,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O3',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.164,\n",
+    "    fract_y=0.032,\n",
+    "    fract_z=0.28,\n",
+    "    wyckoff_letter='d',\n",
+    "    b_iso=0.83,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## Step 3: Define Experiments\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined above.\n",
+    "\n",
+    "#### Download Measured Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "file_path = ed.download_data(id=27, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Create Experiments and Set Temperature"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_paths = ed.extract_data_paths_from_zip(file_path)\n",
+    "for i, data_path in enumerate(data_paths, start=1):\n",
+    "    name = f'd20_{i}'\n",
+    "    project.experiments.add_from_data_path(\n",
+    "        name=name,\n",
+    "        data_path=data_path,\n",
+    "    )\n",
+    "    expt = project.experiments[name]\n",
+    "    expt.diffrn.ambient_temperature = ed.extract_metadata(\n",
+    "        file_path=data_path,\n",
+    "        pattern=r'^TEMP\\s+([0-9.]+)',\n",
+    "    )"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for expt in project.experiments:\n",
+    "    expt.instrument.setup_wavelength = 1.87\n",
+    "    expt.instrument.calib_twotheta_offset = 0.29"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for expt in project.experiments:\n",
+    "    expt.peak.broad_gauss_u = 0.24\n",
+    "    expt.peak.broad_gauss_v = -0.53\n",
+    "    expt.peak.broad_gauss_w = 0.38\n",
+    "    expt.peak.broad_lorentz_y = 0.02"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "#### Set Excluded Regions"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for expt in project.experiments:\n",
+    "    expt.excluded_regions.create(id='1', start=0, end=8)\n",
+    "    expt.excluded_regions.create(id='2', start=150, end=180)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for expt in project.experiments:\n",
+    "    expt.background.create(id='1', x=8, y=609)\n",
+    "    expt.background.create(id='2', x=9, y=581)\n",
+    "    expt.background.create(id='3', x=10, y=563)\n",
+    "    expt.background.create(id='4', x=11, y=540)\n",
+    "    expt.background.create(id='5', x=12, y=520)\n",
+    "    expt.background.create(id='6', x=15, y=507)\n",
+    "    expt.background.create(id='7', x=25, y=463)\n",
+    "    expt.background.create(id='8', x=30, y=434)\n",
+    "    expt.background.create(id='9', x=50, y=451)\n",
+    "    expt.background.create(id='10', x=70, y=431)\n",
+    "    expt.background.create(id='11', x=90, y=414)\n",
+    "    expt.background.create(id='12', x=110, y=361)\n",
+    "    expt.background.create(id='13', x=130, y=292)\n",
+    "    expt.background.create(id='14', x=150, y=241)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for expt in project.experiments:\n",
+    "    expt.linked_phases.create(id='cosio', scale=1.2)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "## Step 4: Perform Analysis\n",
+    "\n",
+    "This section shows how to set free parameters, define constraints,\n",
+    "and run the refinement."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "30",
+   "metadata": {},
+   "source": [
+    "#### Set Free Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "31",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "structure.cell.length_b.free = True\n",
+    "structure.cell.length_c.free = True\n",
+    "\n",
+    "structure.atom_sites['Co2'].fract_x.free = True\n",
+    "structure.atom_sites['Co2'].fract_z.free = True\n",
+    "structure.atom_sites['Si'].fract_x.free = True\n",
+    "structure.atom_sites['Si'].fract_z.free = True\n",
+    "structure.atom_sites['O1'].fract_x.free = True\n",
+    "structure.atom_sites['O1'].fract_z.free = True\n",
+    "structure.atom_sites['O2'].fract_x.free = True\n",
+    "structure.atom_sites['O2'].fract_z.free = True\n",
+    "structure.atom_sites['O3'].fract_x.free = True\n",
+    "structure.atom_sites['O3'].fract_y.free = True\n",
+    "structure.atom_sites['O3'].fract_z.free = True\n",
+    "\n",
+    "structure.atom_sites['Co1'].b_iso.free = True\n",
+    "structure.atom_sites['Co2'].b_iso.free = True\n",
+    "structure.atom_sites['Si'].b_iso.free = True\n",
+    "structure.atom_sites['O1'].b_iso.free = True\n",
+    "structure.atom_sites['O2'].b_iso.free = True\n",
+    "structure.atom_sites['O3'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "32",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for expt in project.experiments:\n",
+    "    expt.linked_phases['cosio'].scale.free = True\n",
+    "\n",
+    "    expt.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "    expt.peak.broad_gauss_u.free = True\n",
+    "    expt.peak.broad_gauss_v.free = True\n",
+    "    expt.peak.broad_gauss_w.free = True\n",
+    "    expt.peak.broad_lorentz_y.free = True\n",
+    "\n",
+    "    for point in expt.background:\n",
+    "        point.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "33",
+   "metadata": {},
+   "source": [
+    "#### Set Constraints\n",
+    "\n",
+    "Set aliases for parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "34",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.aliases.create(\n",
+    "    label='biso_Co1',\n",
+    "    param_uid=structure.atom_sites['Co1'].b_iso.uid,\n",
+    ")\n",
+    "project.analysis.aliases.create(\n",
+    "    label='biso_Co2',\n",
+    "    param_uid=structure.atom_sites['Co2'].b_iso.uid,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "35",
+   "metadata": {},
+   "source": [
+    "Set constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "36",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.constraints.create(\n",
+    "    expression='biso_Co2 = biso_Co1',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "37",
+   "metadata": {},
+   "source": [
+    "Apply constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "38",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.apply_constraints()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {},
+   "source": [
+    "#### Set Fit Mode"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit_mode.mode = 'single'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "43",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "44",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "last_expt_name = project.experiments.names[-1]\n",
+    "project.plot_meas_vs_calc(expt_name=last_expt_name, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "45",
+   "metadata": {},
+   "source": [
+    "#### Plot Parameter Evolution\n",
+    "\n",
+    "Define the quantity to use as the x-axis in the following plots."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "46",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "temperature = project.experiments[0].diffrn.ambient_temperature"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "47",
+   "metadata": {},
+   "source": [
+    "Plot unit cell parameters vs. temperature."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "48",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_param_series(structure.cell.length_a, versus=temperature)\n",
+    "project.plot_param_series(structure.cell.length_b, versus=temperature)\n",
+    "project.plot_param_series(structure.cell.length_c, versus=temperature)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "49",
+   "metadata": {},
+   "source": [
+    "Plot isotropic displacement parameters vs. temperature."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "50",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_param_series(structure.atom_sites['Co1'].b_iso, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['Si'].b_iso, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['O1'].b_iso, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['O2'].b_iso, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['O3'].b_iso, versus=temperature)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51",
+   "metadata": {},
+   "source": [
+    "Plot selected fractional coordinates vs. temperature."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "52",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_param_series(structure.atom_sites['Co2'].fract_x, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['Co2'].fract_z, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['O1'].fract_z, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['O2'].fract_z, versus=temperature)\n",
+    "project.plot_param_series(structure.atom_sites['O3'].fract_z, versus=temperature)"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/docs/docs/tutorials/ed-17.py b/docs/docs/tutorials/ed-17.py
new file mode 100644
index 00000000..af06031f
--- /dev/null
+++ b/docs/docs/tutorials/ed-17.py
@@ -0,0 +1,327 @@
+# %% [markdown]
+# # Structure Refinement: Co2SiO4, D20 (T-scan)
+#
+# This example demonstrates a Rietveld refinement of the Co2SiO4 crystal
+# structure using constant-wavelength neutron powder diffraction data
+# from D20 at ILL. A sequential refinement of the same structure against
+# a temperature scan is performed to show how to manage multiple
+# experiments in a project.
+
+# %% [markdown]
+# ## Import Library
+
+# %%
+import easydiffraction as ed
+
+# %% [markdown]
+# ## Step 1: Define Project
+#
+# The project object manages structures, experiments, and analysis.
+
+# %%
+project = ed.Project()
+
+# %% [markdown]
+# Set output verbosity level to "short" to show only one-line status
+# messages during the analysis process.
+
+# %%
+project.verbosity = 'short'
+
+# %% [markdown]
+# ## Step 2: Define Crystal Structure
+#
+# This section shows how to add structures and modify their
+# parameters.
+#
+# #### Create Structure
+
+# %%
+project.structures.create(name='cosio')
+structure = project.structures['cosio']
+
+# %% [markdown]
+# #### Set Space Group
+
+# %%
+structure.space_group.name_h_m = 'P n m a'
+structure.space_group.it_coordinate_system_code = 'abc'
+
+# %% [markdown]
+# #### Set Unit Cell
+
+# %%
+structure.cell.length_a = 10.31
+structure.cell.length_b = 6.0
+structure.cell.length_c = 4.79
+
+# %% [markdown]
+# #### Set Atom Sites
+
+# %%
+structure.atom_sites.create(
+    label='Co1',
+    type_symbol='Co',
+    fract_x=0,
+    fract_y=0,
+    fract_z=0,
+    wyckoff_letter='a',
+    b_iso=0.3,
+)
+structure.atom_sites.create(
+    label='Co2',
+    type_symbol='Co',
+    fract_x=0.279,
+    fract_y=0.25,
+    fract_z=0.985,
+    wyckoff_letter='c',
+    b_iso=0.3,
+)
+structure.atom_sites.create(
+    label='Si',
+    type_symbol='Si',
+    fract_x=0.094,
+    fract_y=0.25,
+    fract_z=0.429,
+    wyckoff_letter='c',
+    b_iso=0.34,
+)
+structure.atom_sites.create(
+    label='O1',
+    type_symbol='O',
+    fract_x=0.091,
+    fract_y=0.25,
+    fract_z=0.771,
+    wyckoff_letter='c',
+    b_iso=0.63,
+)
+structure.atom_sites.create(
+    label='O2',
+    type_symbol='O',
+    fract_x=0.448,
+    fract_y=0.25,
+    fract_z=0.217,
+    wyckoff_letter='c',
+    b_iso=0.59,
+)
+structure.atom_sites.create(
+    label='O3',
+    type_symbol='O',
+    fract_x=0.164,
+    fract_y=0.032,
+    fract_z=0.28,
+    wyckoff_letter='d',
+    b_iso=0.83,
+)
+
+# %% [markdown]
+# ## Step 3: Define Experiments
+#
+# This section shows how to add experiments, configure their parameters,
+# and link the structures defined above.
+#
+# #### Download Measured Data
+
+# %%
+file_path = ed.download_data(id=27, destination='data')
+
+# %% [markdown]
+# #### Create Experiments and Set Temperature
+
+# %%
+data_paths = ed.extract_data_paths_from_zip(file_path)
+for i, data_path in enumerate(data_paths, start=1):
+    name = f'd20_{i}'
+    project.experiments.add_from_data_path(
+        name=name,
+        data_path=data_path,
+    )
+    expt = project.experiments[name]
+    expt.diffrn.ambient_temperature = ed.extract_metadata(
+        file_path=data_path,
+        pattern=r'^TEMP\s+([0-9.]+)',
+    )
+
+# %% [markdown]
+# #### Set Instrument
+
+# %%
+for expt in project.experiments:
+    expt.instrument.setup_wavelength = 1.87
+    expt.instrument.calib_twotheta_offset = 0.29
+
+# %% [markdown]
+# #### Set Peak Profile
+
+# %%
+for expt in project.experiments:
+    expt.peak.broad_gauss_u = 0.24
+    expt.peak.broad_gauss_v = -0.53
+    expt.peak.broad_gauss_w = 0.38
+    expt.peak.broad_lorentz_y = 0.02
+
+# %% [markdown]
+# #### Set Excluded Regions
+
+# %%
+for expt in project.experiments:
+    expt.excluded_regions.create(id='1', start=0, end=8)
+    expt.excluded_regions.create(id='2', start=150, end=180)
+
+# %% [markdown]
+# #### Set Background
+
+# %%
+for expt in project.experiments:
+    expt.background.create(id='1', x=8, y=609)
+    expt.background.create(id='2', x=9, y=581)
+    expt.background.create(id='3', x=10, y=563)
+    expt.background.create(id='4', x=11, y=540)
+    expt.background.create(id='5', x=12, y=520)
+    expt.background.create(id='6', x=15, y=507)
+    expt.background.create(id='7', x=25, y=463)
+    expt.background.create(id='8', x=30, y=434)
+    expt.background.create(id='9', x=50, y=451)
+    expt.background.create(id='10', x=70, y=431)
+    expt.background.create(id='11', x=90, y=414)
+    expt.background.create(id='12', x=110, y=361)
+    expt.background.create(id='13', x=130, y=292)
+    expt.background.create(id='14', x=150, y=241)
+
+# %% [markdown]
+# #### Set Linked Phases
+
+# %%
+for expt in project.experiments:
+    expt.linked_phases.create(id='cosio', scale=1.2)
+
+# %% [markdown]
+# ## Step 4: Perform Analysis
+#
+# This section shows how to set free parameters, define constraints,
+# and run the refinement.
+
+# %% [markdown]
+# #### Set Free Parameters
+
+# %%
+structure.cell.length_a.free = True
+structure.cell.length_b.free = True
+structure.cell.length_c.free = True
+
+structure.atom_sites['Co2'].fract_x.free = True
+structure.atom_sites['Co2'].fract_z.free = True
+structure.atom_sites['Si'].fract_x.free = True
+structure.atom_sites['Si'].fract_z.free = True
+structure.atom_sites['O1'].fract_x.free = True
+structure.atom_sites['O1'].fract_z.free = True
+structure.atom_sites['O2'].fract_x.free = True
+structure.atom_sites['O2'].fract_z.free = True
+structure.atom_sites['O3'].fract_x.free = True
+structure.atom_sites['O3'].fract_y.free = True
+structure.atom_sites['O3'].fract_z.free = True
+
+structure.atom_sites['Co1'].b_iso.free = True
+structure.atom_sites['Co2'].b_iso.free = True
+structure.atom_sites['Si'].b_iso.free = True
+structure.atom_sites['O1'].b_iso.free = True
+structure.atom_sites['O2'].b_iso.free = True
+structure.atom_sites['O3'].b_iso.free = True
+
+# %%
+for expt in project.experiments:
+    expt.linked_phases['cosio'].scale.free = True
+
+    expt.instrument.calib_twotheta_offset.free = True
+
+    expt.peak.broad_gauss_u.free = True
+    expt.peak.broad_gauss_v.free = True
+    expt.peak.broad_gauss_w.free = True
+    expt.peak.broad_lorentz_y.free = True
+
+    for point in expt.background:
+        point.y.free = True
+
+# %% [markdown]
+# #### Set Constraints
+#
+# Set aliases for parameters.
+
+# %%
+project.analysis.aliases.create(
+    label='biso_Co1',
+    param_uid=structure.atom_sites['Co1'].b_iso.uid,
+)
+project.analysis.aliases.create(
+    label='biso_Co2',
+    param_uid=structure.atom_sites['Co2'].b_iso.uid,
+)
+
+# %% [markdown]
+# Set constraints.
+
+# %%
+project.analysis.constraints.create(
+    expression='biso_Co2 = biso_Co1',
+)
+
+# %% [markdown]
+# Apply constraints.
+
+# %%
+project.analysis.apply_constraints()
+
+# %% [markdown]
+# #### Set Fit Mode
+
+# %%
+project.analysis.fit_mode.mode = 'single'
+
+# %% [markdown]
+# #### Run Fitting
+
+# %%
+project.analysis.fit()
+
+# %% [markdown]
+# #### Plot Measured vs Calculated
+
+# %%
+last_expt_name = project.experiments.names[-1]
+project.plot_meas_vs_calc(expt_name=last_expt_name, show_residual=True)
+
+# %% [markdown]
+# #### Plot Parameter Evolution
+#
+# Define the quantity to use as the x-axis in the following plots.
+
+# %%
+temperature = project.experiments[0].diffrn.ambient_temperature
+
+# %% [markdown]
+# Plot unit cell parameters vs. temperature.
+
+# %%
+project.plot_param_series(structure.cell.length_a, versus=temperature)
+project.plot_param_series(structure.cell.length_b, versus=temperature)
+project.plot_param_series(structure.cell.length_c, versus=temperature)
+
+# %% [markdown]
+# Plot isotropic displacement parameters vs. temperature.
+
+# %%
+project.plot_param_series(structure.atom_sites['Co1'].b_iso, versus=temperature)
+project.plot_param_series(structure.atom_sites['Si'].b_iso, versus=temperature)
+project.plot_param_series(structure.atom_sites['O1'].b_iso, versus=temperature)
+project.plot_param_series(structure.atom_sites['O2'].b_iso, versus=temperature)
+project.plot_param_series(structure.atom_sites['O3'].b_iso, versus=temperature)
+
+# %% [markdown]
+# Plot selected fractional coordinates vs. temperature.
+
+# %%
+project.plot_param_series(structure.atom_sites['Co2'].fract_x, versus=temperature)
+project.plot_param_series(structure.atom_sites['Co2'].fract_z, versus=temperature)
+project.plot_param_series(structure.atom_sites['O1'].fract_z, versus=temperature)
+project.plot_param_series(structure.atom_sites['O2'].fract_z, versus=temperature)
+project.plot_param_series(structure.atom_sites['O3'].fract_z, versus=temperature)
diff --git a/docs/docs/tutorials/ed-2.ipynb b/docs/docs/tutorials/ed-2.ipynb
new file mode 100644
index 00000000..0a4af0f3
--- /dev/null
+++ b/docs/docs/tutorials/ed-2.ipynb
@@ -0,0 +1,344 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: LBCO, HRPT\n",
+    "\n",
+    "This minimalistic example is designed to show how Rietveld refinement\n",
+    "can be performed when both the crystal structure and experiment are\n",
+    "defined directly in code. Only the experimentally measured data is\n",
+    "loaded from an external file.\n",
+    "\n",
+    "For this example, constant-wavelength neutron powder diffraction data\n",
+    "for La0.5Ba0.5CoO3 from HRPT at PSI is used.\n",
+    "\n",
+    "It does not contain any advanced features or options, and includes no\n",
+    "comments or explanations—these can be found in the other tutorials.\n",
+    "Default values are used for all parameters if not specified. Only\n",
+    "essential and self-explanatory code is provided.\n",
+    "\n",
+    "The example is intended for users who are already familiar with the\n",
+    "EasyDiffraction library and want to quickly get started with a simple\n",
+    "refinement. It is also useful for those who want to see what a\n",
+    "refinement might look like in code. For a more detailed explanation of\n",
+    "the code, please refer to the other tutorials."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Step 1: Define Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Step 2: Define Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.create(name='lbco')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = project.structures['lbco']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'P m -3 m'\n",
+    "structure.space_group.it_coordinate_system_code = '1'"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 3.88"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='La',\n",
+    "    type_symbol='La',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Ba',\n",
+    "    type_symbol='Ba',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Co',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0.5,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Step 3: Define Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=3, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='hrpt',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = project.experiments['hrpt']"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.instrument.setup_wavelength = 1.494\n",
+    "experiment.instrument.calib_twotheta_offset = 0.6"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.peak.broad_gauss_u = 0.1\n",
+    "experiment.peak.broad_gauss_v = -0.1\n",
+    "experiment.peak.broad_gauss_w = 0.1\n",
+    "experiment.peak.broad_lorentz_y = 0.1"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "17",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.background.create(id='1', x=10, y=170)\n",
+    "experiment.background.create(id='2', x=30, y=170)\n",
+    "experiment.background.create(id='3', x=50, y=170)\n",
+    "experiment.background.create(id='4', x=110, y=170)\n",
+    "experiment.background.create(id='5', x=165, y=170)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.excluded_regions.create(id='1', start=0, end=5)\n",
+    "experiment.excluded_regions.create(id='2', start=165, end=180)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "19",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_phases.create(id='lbco', scale=10.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "20",
+   "metadata": {},
+   "source": [
+    "## Step 4: Perform Analysis"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "\n",
+    "structure.atom_sites['La'].b_iso.free = True\n",
+    "structure.atom_sites['Ba'].b_iso.free = True\n",
+    "structure.atom_sites['Co'].b_iso.free = True\n",
+    "structure.atom_sites['O'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {
+    "lines_to_next_cell": 2
+   },
+   "outputs": [],
+   "source": [
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "experiment.peak.broad_gauss_u.free = True\n",
+    "experiment.peak.broad_gauss_v.free = True\n",
+    "experiment.peak.broad_gauss_w.free = True\n",
+    "experiment.peak.broad_lorentz_y.free = True\n",
+    "\n",
+    "experiment.background['1'].y.free = True\n",
+    "experiment.background['2'].y.free = True\n",
+    "experiment.background['3'].y.free = True\n",
+    "experiment.background['4'].y.free = True\n",
+    "experiment.background['5'].y.free = True\n",
+    "\n",
+    "experiment.linked_phases['lbco'].scale.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-2.py b/docs/docs/tutorials/ed-2.py
similarity index 69%
rename from tutorials/ed-2.py
rename to docs/docs/tutorials/ed-2.py
index 4390b65b..3c8d033e 100644
--- a/tutorials/ed-2.py
+++ b/docs/docs/tutorials/ed-2.py
@@ -2,9 +2,9 @@
 # # Structure Refinement: LBCO, HRPT
 #
 # This minimalistic example is designed to show how Rietveld refinement
-# of a crystal structure can be performed when both the sample model and
-# experiment are defined directly in code. Only the experimentally
-# measured data is loaded from an external file.
+# can be performed when both the crystal structure and experiment are
+# defined directly in code. Only the experimentally measured data is
+# loaded from an external file.
 #
 # For this example, constant-wavelength neutron powder diffraction data
 # for La0.5Ba0.5CoO3 from HRPT at PSI is used.
@@ -33,23 +33,23 @@
 project = ed.Project()
 
 # %% [markdown]
-# ## Step 2: Define Sample Model
+# ## Step 2: Define Structure
 
 # %%
-project.sample_models.add(name='lbco')
+project.structures.create(name='lbco')
 
 # %%
-sample_model = project.sample_models['lbco']
+structure = project.structures['lbco']
 
 # %%
-sample_model.space_group.name_h_m = 'P m -3 m'
-sample_model.space_group.it_coordinate_system_code = '1'
+structure.space_group.name_h_m = 'P m -3 m'
+structure.space_group.it_coordinate_system_code = '1'
 
 # %%
-sample_model.cell.length_a = 3.88
+structure.cell.length_a = 3.88
 
 # %%
-sample_model.atom_sites.add(
+structure.atom_sites.create(
     label='La',
     type_symbol='La',
     fract_x=0,
@@ -59,7 +59,7 @@
     b_iso=0.5,
     occupancy=0.5,
 )
-sample_model.atom_sites.add(
+structure.atom_sites.create(
     label='Ba',
     type_symbol='Ba',
     fract_x=0,
@@ -69,7 +69,7 @@
     b_iso=0.5,
     occupancy=0.5,
 )
-sample_model.atom_sites.add(
+structure.atom_sites.create(
     label='Co',
     type_symbol='Co',
     fract_x=0.5,
@@ -78,7 +78,7 @@
     wyckoff_letter='b',
     b_iso=0.5,
 )
-sample_model.atom_sites.add(
+structure.atom_sites.create(
     label='O',
     type_symbol='O',
     fract_x=0,
@@ -95,7 +95,7 @@
 data_path = ed.download_data(id=3, destination='data')
 
 # %%
-project.experiments.add(
+project.experiments.add_from_data_path(
     name='hrpt',
     data_path=data_path,
     sample_form='powder',
@@ -117,29 +117,29 @@
 experiment.peak.broad_lorentz_y = 0.1
 
 # %%
-experiment.background.add(id='1', x=10, y=170)
-experiment.background.add(id='2', x=30, y=170)
-experiment.background.add(id='3', x=50, y=170)
-experiment.background.add(id='4', x=110, y=170)
-experiment.background.add(id='5', x=165, y=170)
+experiment.background.create(id='1', x=10, y=170)
+experiment.background.create(id='2', x=30, y=170)
+experiment.background.create(id='3', x=50, y=170)
+experiment.background.create(id='4', x=110, y=170)
+experiment.background.create(id='5', x=165, y=170)
 
 # %%
-experiment.excluded_regions.add(id='1', start=0, end=5)
-experiment.excluded_regions.add(id='2', start=165, end=180)
+experiment.excluded_regions.create(id='1', start=0, end=5)
+experiment.excluded_regions.create(id='2', start=165, end=180)
 
 # %%
-experiment.linked_phases.add(id='lbco', scale=10.0)
+experiment.linked_phases.create(id='lbco', scale=10.0)
 
 # %% [markdown]
 # ## Step 4: Perform Analysis
 
 # %%
-sample_model.cell.length_a.free = True
+structure.cell.length_a.free = True
 
-sample_model.atom_sites['La'].b_iso.free = True
-sample_model.atom_sites['Ba'].b_iso.free = True
-sample_model.atom_sites['Co'].b_iso.free = True
-sample_model.atom_sites['O'].b_iso.free = True
+structure.atom_sites['La'].b_iso.free = True
+structure.atom_sites['Ba'].b_iso.free = True
+structure.atom_sites['Co'].b_iso.free = True
+structure.atom_sites['O'].b_iso.free = True
 
 # %%
 experiment.instrument.calib_twotheta_offset.free = True
diff --git a/docs/docs/tutorials/ed-3.ipynb b/docs/docs/tutorials/ed-3.ipynb
new file mode 100644
index 00000000..5104fcab
--- /dev/null
+++ b/docs/docs/tutorials/ed-3.ipynb
@@ -0,0 +1,1804 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: LBCO, HRPT\n",
+    "\n",
+    "This example demonstrates how to use the EasyDiffraction API in a\n",
+    "simplified, user-friendly manner that closely follows the GUI workflow\n",
+    "for a Rietveld refinement of La0.5Ba0.5CoO3 crystal structure using\n",
+    "constant wavelength neutron powder diffraction data from HRPT at PSI.\n",
+    "\n",
+    "It is intended for users with minimal programming experience who want\n",
+    "to learn how to perform standard crystal structure fitting using\n",
+    "diffraction data. This script covers creating a project, adding\n",
+    "crystal structures and experiments, performing analysis, and refining\n",
+    "parameters.\n",
+    "\n",
+    "Only a single import of `easydiffraction` is required, and all\n",
+    "operations are performed through high-level components of the\n",
+    "`project` object, such as `project.structures`,\n",
+    "`project.experiments`, and `project.analysis`. The `project` object is\n",
+    "the main container for all information."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Step 1: Create a Project\n",
+    "\n",
+    "This section explains how to create a project and define its metadata."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "4",
+   "metadata": {},
+   "source": [
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "5",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project(name='lbco_hrpt')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "6",
+   "metadata": {},
+   "source": [
+    "#### Set Project Metadata"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "7",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.info.title = 'La0.5Ba0.5CoO3 at HRPT@PSI'\n",
+    "project.info.description = \"\"\"This project demonstrates a standard\n",
+    "refinement of La0.5Ba0.5CoO3, which crystallizes in a perovskite-type\n",
+    "structure, using neutron powder diffraction data collected in constant\n",
+    "wavelength mode at the HRPT diffractometer (PSI).\"\"\""
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "8",
+   "metadata": {},
+   "source": [
+    "#### Show Project Metadata as CIF"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.info.show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "10",
+   "metadata": {},
+   "source": [
+    "#### Save Project\n",
+    "\n",
+    "When saving the project for the first time, you need to specify the\n",
+    "directory path. In the example below, the project is saved to a\n",
+    "temporary location defined by the system."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "11",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save_as(dir_path='lbco_hrpt', temporary=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "12",
+   "metadata": {},
+   "source": [
+    "#### Set Up Data Plotter"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "Show supported plotting engines."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plotter.show_supported_engines()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "Show current plotting configuration."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plotter.show_config()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "Set plotting engine."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "## Step 2: Define Structure\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "20",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.create(name='lbco')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "22",
+   "metadata": {},
+   "source": [
+    "#### Show Defined Structures\n",
+    "\n",
+    "Show the names of the crystal structures added. These names are used\n",
+    "to access the structure using the syntax:\n",
+    "`project.structures[name]`. All structure parameters can be accessed\n",
+    "via the `project` object."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.show_names()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "24",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group\n",
+    "\n",
+    "Modify the default space group parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].space_group.name_h_m = 'P m -3 m'\n",
+    "project.structures['lbco'].space_group.it_coordinate_system_code = '1'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "26",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell\n",
+    "\n",
+    "Modify the default unit cell parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "27",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].cell.length_a = 3.88"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "28",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites\n",
+    "\n",
+    "Add atom sites to the structure."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "29",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].atom_sites.create(\n",
+    "    label='La',\n",
+    "    type_symbol='La',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "project.structures['lbco'].atom_sites.create(\n",
+    "    label='Ba',\n",
+    "    type_symbol='Ba',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "project.structures['lbco'].atom_sites.create(\n",
+    "    label='Co',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0.5,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "project.structures['lbco'].atom_sites.create(\n",
+    "    label='O',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "30",
+   "metadata": {},
+   "source": [
+    "#### Show Structure as CIF"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "31",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "32",
+   "metadata": {},
+   "source": [
+    "#### Show Structure Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "33",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].show()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "34",
+   "metadata": {},
+   "source": [
+    "#### Save Project State\n",
+    "\n",
+    "Save the project state after adding the structure. This ensures\n",
+    "that all changes are stored and can be accessed later. The project\n",
+    "state is saved in the directory specified during project creation."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "35",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "36",
+   "metadata": {},
+   "source": [
+    "## Step 3: Define Experiment\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined in the previous step."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "37",
+   "metadata": {},
+   "source": [
+    "#### Download Measured Data\n",
+    "\n",
+    "Download the data file from the EasyDiffraction repository on GitHub."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "38",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = ed.download_data(id=3, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {},
+   "source": [
+    "#### Add Diffraction Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add_from_data_path(\n",
+    "    name='hrpt',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "#### Show Defined Experiments"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.show_names()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "43",
+   "metadata": {},
+   "source": [
+    "#### Show Measured Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "44",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas(expt_name='hrpt')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "45",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument\n",
+    "\n",
+    "Modify the default instrument parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "46",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].instrument.setup_wavelength = 1.494\n",
+    "project.experiments['hrpt'].instrument.calib_twotheta_offset = 0.6"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "47",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile\n",
+    "\n",
+    "Show supported peak profile types."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "48",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_supported_peak_profile_types()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "49",
+   "metadata": {},
+   "source": [
+    "Show the current peak profile type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "50",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_current_peak_profile_type()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51",
+   "metadata": {},
+   "source": [
+    "Select the desired peak profile type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "52",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].peak_profile_type = 'pseudo-voigt'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "53",
+   "metadata": {},
+   "source": [
+    "Modify default peak profile parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "54",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].peak.broad_gauss_u = 0.1\n",
+    "project.experiments['hrpt'].peak.broad_gauss_v = -0.1\n",
+    "project.experiments['hrpt'].peak.broad_gauss_w = 0.1\n",
+    "project.experiments['hrpt'].peak.broad_lorentz_x = 0\n",
+    "project.experiments['hrpt'].peak.broad_lorentz_y = 0.1"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "55",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "56",
+   "metadata": {},
+   "source": [
+    "Show supported background types."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "57",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_supported_background_types()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "58",
+   "metadata": {},
+   "source": [
+    "Show current background type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "59",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_current_background_type()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "60",
+   "metadata": {},
+   "source": [
+    "Select the desired background type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "61",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].background_type = 'line-segment'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "62",
+   "metadata": {},
+   "source": [
+    "Add background points."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "63",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].background.create(id='10', x=10, y=170)\n",
+    "project.experiments['hrpt'].background.create(id='30', x=30, y=170)\n",
+    "project.experiments['hrpt'].background.create(id='50', x=50, y=170)\n",
+    "project.experiments['hrpt'].background.create(id='110', x=110, y=170)\n",
+    "project.experiments['hrpt'].background.create(id='165', x=165, y=170)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "64",
+   "metadata": {},
+   "source": [
+    "Show current background points."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "65",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].background.show()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "66",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases\n",
+    "\n",
+    "Link the structure defined in the previous step to the experiment."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "67",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].linked_phases.create(id='lbco', scale=10.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "68",
+   "metadata": {},
+   "source": [
+    "#### Show Experiment as CIF"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "69",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "70",
+   "metadata": {},
+   "source": [
+    "#### Save Project State"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "71",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "72",
+   "metadata": {},
+   "source": [
+    "## Step 4: Perform Analysis\n",
+    "\n",
+    "This section explains the analysis process, including how to set up\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Calculator\n",
+    "\n",
+    "Show supported calculation engines for this experiment."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "73",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_supported_calculator_types()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "74",
+   "metadata": {},
+   "source": [
+    "Show current calculation engine for this experiment."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "75",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].show_current_calculator_type()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "76",
+   "metadata": {},
+   "source": [
+    "Select the desired calculation engine."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "77",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].calculator_type = 'cryspy'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "78",
+   "metadata": {},
+   "source": [
+    "#### Show Calculated Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "79",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_calc(expt_name='hrpt')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "80",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "81",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "82",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=38, x_max=41, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "83",
+   "metadata": {},
+   "source": [
+    "#### Show Parameters\n",
+    "\n",
+    "Show all parameters of the project."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "84",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# project.analysis.show_all_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "85",
+   "metadata": {},
+   "source": [
+    "Show all fittable parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "86",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_fittable_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "87",
+   "metadata": {},
+   "source": [
+    "Show only free parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "88",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "89",
+   "metadata": {},
+   "source": [
+    "Show how to access parameters in the code."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "90",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# project.analysis.how_to_access_parameters()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "91",
+   "metadata": {},
+   "source": [
+    "#### Set Fit Mode\n",
+    "\n",
+    "Show supported fit modes."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "92",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_supported_fit_mode_types()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "93",
+   "metadata": {},
+   "source": [
+    "Show current fit mode."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "94",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_current_fit_mode_type()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "95",
+   "metadata": {},
+   "source": [
+    "Select desired fit mode."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "96",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit_mode.mode = 'single'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "97",
+   "metadata": {},
+   "source": [
+    "#### Set Minimizer\n",
+    "\n",
+    "Show supported fitting engines."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "98",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_available_minimizers()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "99",
+   "metadata": {},
+   "source": [
+    "Show current fitting engine."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "100",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_current_minimizer()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "101",
+   "metadata": {},
+   "source": [
+    "Select desired fitting engine."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "102",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "103",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 1/5\n",
+    "\n",
+    "Set structure parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "104",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].cell.length_a.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "105",
+   "metadata": {},
+   "source": [
+    "Set experiment parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "106",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].linked_phases['lbco'].scale.free = True\n",
+    "project.experiments['hrpt'].instrument.calib_twotheta_offset.free = True\n",
+    "project.experiments['hrpt'].background['10'].y.free = True\n",
+    "project.experiments['hrpt'].background['30'].y.free = True\n",
+    "project.experiments['hrpt'].background['50'].y.free = True\n",
+    "project.experiments['hrpt'].background['110'].y.free = True\n",
+    "project.experiments['hrpt'].background['165'].y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "107",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "108",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "109",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "110",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "111",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "112",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "113",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=38, x_max=41, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "114",
+   "metadata": {},
+   "source": [
+    "#### Save Project State"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "115",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save_as(dir_path='lbco_hrpt', temporary=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "116",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 2/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "117",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['hrpt'].peak.broad_gauss_u.free = True\n",
+    "project.experiments['hrpt'].peak.broad_gauss_v.free = True\n",
+    "project.experiments['hrpt'].peak.broad_gauss_w.free = True\n",
+    "project.experiments['hrpt'].peak.broad_lorentz_y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "118",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "119",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "120",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "121",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "122",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "123",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "124",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=38, x_max=41, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "125",
+   "metadata": {},
+   "source": [
+    "#### Save Project State"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "126",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save_as(dir_path='lbco_hrpt', temporary=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "127",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 3/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "128",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].atom_sites['La'].b_iso.free = True\n",
+    "project.structures['lbco'].atom_sites['Ba'].b_iso.free = True\n",
+    "project.structures['lbco'].atom_sites['Co'].b_iso.free = True\n",
+    "project.structures['lbco'].atom_sites['O'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "129",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "130",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "131",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "132",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "133",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "134",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "135",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=38, x_max=41, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "136",
+   "metadata": {},
+   "source": [
+    "#### Save Project State"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "137",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save_as(dir_path='lbco_hrpt', temporary=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "138",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 4/5\n",
+    "\n",
+    "#### Set Constraints\n",
+    "\n",
+    "Set aliases for parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "139",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.aliases.create(\n",
+    "    label='biso_La',\n",
+    "    param_uid=project.structures['lbco'].atom_sites['La'].b_iso.uid,\n",
+    ")\n",
+    "project.analysis.aliases.create(\n",
+    "    label='biso_Ba',\n",
+    "    param_uid=project.structures['lbco'].atom_sites['Ba'].b_iso.uid,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "140",
+   "metadata": {},
+   "source": [
+    "Set constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "141",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.constraints.create(expression='biso_Ba = biso_La')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "142",
+   "metadata": {},
+   "source": [
+    "Show defined constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "143",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_constraints()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "144",
+   "metadata": {},
+   "source": [
+    "Show free parameters before applying constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "145",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "146",
+   "metadata": {},
+   "source": [
+    "Apply constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "147",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.apply_constraints()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "148",
+   "metadata": {},
+   "source": [
+    "Show free parameters after applying constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "149",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "150",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "151",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "152",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "153",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "154",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=38, x_max=41, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "155",
+   "metadata": {},
+   "source": [
+    "#### Save Project State"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "156",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save_as(dir_path='lbco_hrpt', temporary=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "157",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 5/5\n",
+    "\n",
+    "#### Set Constraints\n",
+    "\n",
+    "Set more aliases for parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "158",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.aliases.create(\n",
+    "    label='occ_La',\n",
+    "    param_uid=project.structures['lbco'].atom_sites['La'].occupancy.uid,\n",
+    ")\n",
+    "project.analysis.aliases.create(\n",
+    "    label='occ_Ba',\n",
+    "    param_uid=project.structures['lbco'].atom_sites['Ba'].occupancy.uid,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "159",
+   "metadata": {},
+   "source": [
+    "Set more constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "160",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.constraints.create(\n",
+    "    expression='occ_Ba = 1 - occ_La',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "161",
+   "metadata": {},
+   "source": [
+    "Show defined constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "162",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_constraints()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "163",
+   "metadata": {},
+   "source": [
+    "Apply constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "164",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.apply_constraints()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "165",
+   "metadata": {},
+   "source": [
+    "Set structure parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "166",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures['lbco'].atom_sites['La'].occupancy.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "167",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "168",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "169",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "170",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "171",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "172",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "173",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=38, x_max=41, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "174",
+   "metadata": {},
+   "source": [
+    "#### Save Project State"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "175",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.save_as(dir_path='lbco_hrpt', temporary=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "176",
+   "metadata": {},
+   "source": [
+    "## Step 5: Summary\n",
+    "\n",
+    "This final section shows how to review the results of the analysis."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "177",
+   "metadata": {},
+   "source": [
+    "#### Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "178",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "179",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-3.py b/docs/docs/tutorials/ed-3.py
similarity index 78%
rename from tutorials/ed-3.py
rename to docs/docs/tutorials/ed-3.py
index c0aefa1b..23b60d88 100644
--- a/tutorials/ed-3.py
+++ b/docs/docs/tutorials/ed-3.py
@@ -8,12 +8,13 @@
 #
 # It is intended for users with minimal programming experience who want
 # to learn how to perform standard crystal structure fitting using
-# diffraction data. This script covers creating a project, adding sample
-# models and experiments, performing analysis, and refining parameters.
+# diffraction data. This script covers creating a project, adding
+# crystal structures and experiments, performing analysis, and refining
+# parameters.
 #
 # Only a single import of `easydiffraction` is required, and all
 # operations are performed through high-level components of the
-# `project` object, such as `project.sample_models`,
+# `project` object, such as `project.structures`,
 # `project.experiments`, and `project.analysis`. The `project` object is
 # the main container for all information.
 
@@ -84,26 +85,27 @@
 # project.plotter.engine = 'plotly'
 
 # %% [markdown]
-# ## Step 2: Define Sample Model
+# ## Step 2: Define Structure
 #
-# This section shows how to add sample models and modify their
+# This section shows how to add structures and modify their
 # parameters.
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project.sample_models.add(name='lbco')
+project.structures.create(name='lbco')
 
 # %% [markdown]
-# #### Show Defined Sample Models
+# #### Show Defined Structures
 #
-# Show the names of the models added. These names are used to access the
-# model using the syntax: `project.sample_models['model_name']`. All
-# model parameters can be accessed via the `project` object.
+# Show the names of the crystal structures added. These names are used
+# to access the structure using the syntax:
+# `project.structures[name]`. All structure parameters can be accessed
+# via the `project` object.
 
 # %%
-project.sample_models.show_names()
+project.structures.show_names()
 
 # %% [markdown]
 # #### Set Space Group
@@ -111,8 +113,8 @@
 # Modify the default space group parameters.
 
 # %%
-project.sample_models['lbco'].space_group.name_h_m = 'P m -3 m'
-project.sample_models['lbco'].space_group.it_coordinate_system_code = '1'
+project.structures['lbco'].space_group.name_h_m = 'P m -3 m'
+project.structures['lbco'].space_group.it_coordinate_system_code = '1'
 
 # %% [markdown]
 # #### Set Unit Cell
@@ -120,15 +122,15 @@
 # Modify the default unit cell parameters.
 
 # %%
-project.sample_models['lbco'].cell.length_a = 3.88
+project.structures['lbco'].cell.length_a = 3.88
 
 # %% [markdown]
 # #### Set Atom Sites
 #
-# Add atom sites to the sample model.
+# Add atom sites to the structure.
 
 # %%
-project.sample_models['lbco'].atom_sites.add(
+project.structures['lbco'].atom_sites.create(
     label='La',
     type_symbol='La',
     fract_x=0,
@@ -138,7 +140,7 @@
     b_iso=0.5,
     occupancy=0.5,
 )
-project.sample_models['lbco'].atom_sites.add(
+project.structures['lbco'].atom_sites.create(
     label='Ba',
     type_symbol='Ba',
     fract_x=0,
@@ -148,7 +150,7 @@
     b_iso=0.5,
     occupancy=0.5,
 )
-project.sample_models['lbco'].atom_sites.add(
+project.structures['lbco'].atom_sites.create(
     label='Co',
     type_symbol='Co',
     fract_x=0.5,
@@ -157,7 +159,7 @@
     wyckoff_letter='b',
     b_iso=0.5,
 )
-project.sample_models['lbco'].atom_sites.add(
+project.structures['lbco'].atom_sites.create(
     label='O',
     type_symbol='O',
     fract_x=0,
@@ -168,21 +170,21 @@
 )
 
 # %% [markdown]
-# #### Show Sample Model as CIF
+# #### Show Structure as CIF
 
 # %%
-project.sample_models['lbco'].show_as_cif()
+project.structures['lbco'].show_as_cif()
 
 # %% [markdown]
-# #### Show Sample Model Structure
+# #### Show Structure Structure
 
 # %%
-project.sample_models['lbco'].show_structure()
+project.structures['lbco'].show()
 
 # %% [markdown]
 # #### Save Project State
 #
-# Save the project state after adding the sample model. This ensures
+# Save the project state after adding the structure. This ensures
 # that all changes are stored and can be accessed later. The project
 # state is saved in the directory specified during project creation.
 
@@ -193,7 +195,7 @@
 # ## Step 3: Define Experiment
 #
 # This section shows how to add experiments, configure their parameters,
-# and link the sample models defined in the previous step.
+# and link the structures defined in the previous step.
 
 # %% [markdown]
 # #### Download Measured Data
@@ -207,7 +209,7 @@
 # #### Add Diffraction Experiment
 
 # %%
-project.experiments.add(
+project.experiments.add_from_data_path(
     name='hrpt',
     data_path=data_path,
     sample_form='powder',
@@ -291,11 +293,11 @@
 # Add background points.
 
 # %%
-project.experiments['hrpt'].background.add(id='10', x=10, y=170)
-project.experiments['hrpt'].background.add(id='30', x=30, y=170)
-project.experiments['hrpt'].background.add(id='50', x=50, y=170)
-project.experiments['hrpt'].background.add(id='110', x=110, y=170)
-project.experiments['hrpt'].background.add(id='165', x=165, y=170)
+project.experiments['hrpt'].background.create(id='10', x=10, y=170)
+project.experiments['hrpt'].background.create(id='30', x=30, y=170)
+project.experiments['hrpt'].background.create(id='50', x=50, y=170)
+project.experiments['hrpt'].background.create(id='110', x=110, y=170)
+project.experiments['hrpt'].background.create(id='165', x=165, y=170)
 
 # %% [markdown]
 # Show current background points.
@@ -306,10 +308,10 @@
 # %% [markdown]
 # #### Set Linked Phases
 #
-# Link the sample model defined in the previous step to the experiment.
+# Link the structure defined in the previous step to the experiment.
 
 # %%
-project.experiments['hrpt'].linked_phases.add(id='lbco', scale=10.0)
+project.experiments['hrpt'].linked_phases.create(id='lbco', scale=10.0)
 
 # %% [markdown]
 # #### Show Experiment as CIF
@@ -331,22 +333,22 @@
 #
 # #### Set Calculator
 #
-# Show supported calculation engines.
+# Show supported calculation engines for this experiment.
 
 # %%
-project.analysis.show_supported_calculators()
+project.experiments['hrpt'].show_supported_calculator_types()
 
 # %% [markdown]
-# Show current calculation engine.
+# Show current calculation engine for this experiment.
 
 # %%
-project.analysis.show_current_calculator()
+project.experiments['hrpt'].show_current_calculator_type()
 
 # %% [markdown]
 # Select the desired calculation engine.
 
 # %%
-project.analysis.current_calculator = 'cryspy'
+project.experiments['hrpt'].calculator_type = 'cryspy'
 
 # %% [markdown]
 # #### Show Calculated Data
@@ -395,19 +397,19 @@
 # Show supported fit modes.
 
 # %%
-project.analysis.show_available_fit_modes()
+project.analysis.show_supported_fit_mode_types()
 
 # %% [markdown]
 # Show current fit mode.
 
 # %%
-project.analysis.show_current_fit_mode()
+project.analysis.show_current_fit_mode_type()
 
 # %% [markdown]
 # Select desired fit mode.
 
 # %%
-project.analysis.fit_mode = 'single'
+project.analysis.fit_mode.mode = 'single'
 
 # %% [markdown]
 # #### Set Minimizer
@@ -427,15 +429,15 @@
 # Select desired fitting engine.
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # ### Perform Fit 1/5
 #
-# Set sample model parameters to be refined.
+# Set structure parameters to be refined.
 
 # %%
-project.sample_models['lbco'].cell.length_a.free = True
+project.structures['lbco'].cell.length_a.free = True
 
 # %% [markdown]
 # Set experiment parameters to be refined.
@@ -522,10 +524,10 @@
 # Set more parameters to be refined.
 
 # %%
-project.sample_models['lbco'].atom_sites['La'].b_iso.free = True
-project.sample_models['lbco'].atom_sites['Ba'].b_iso.free = True
-project.sample_models['lbco'].atom_sites['Co'].b_iso.free = True
-project.sample_models['lbco'].atom_sites['O'].b_iso.free = True
+project.structures['lbco'].atom_sites['La'].b_iso.free = True
+project.structures['lbco'].atom_sites['Ba'].b_iso.free = True
+project.structures['lbco'].atom_sites['Co'].b_iso.free = True
+project.structures['lbco'].atom_sites['O'].b_iso.free = True
 
 # %% [markdown]
 # Show free parameters after selection.
@@ -563,20 +565,20 @@
 # Set aliases for parameters.
 
 # %%
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='biso_La',
-    param_uid=project.sample_models['lbco'].atom_sites['La'].b_iso.uid,
+    param_uid=project.structures['lbco'].atom_sites['La'].b_iso.uid,
 )
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='biso_Ba',
-    param_uid=project.sample_models['lbco'].atom_sites['Ba'].b_iso.uid,
+    param_uid=project.structures['lbco'].atom_sites['Ba'].b_iso.uid,
 )
 
 # %% [markdown]
 # Set constraints.
 
 # %%
-project.analysis.constraints.add(lhs_alias='biso_Ba', rhs_expr='biso_La')
+project.analysis.constraints.create(expression='biso_Ba = biso_La')
 
 # %% [markdown]
 # Show defined constraints.
@@ -632,22 +634,21 @@
 # Set more aliases for parameters.
 
 # %%
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='occ_La',
-    param_uid=project.sample_models['lbco'].atom_sites['La'].occupancy.uid,
+    param_uid=project.structures['lbco'].atom_sites['La'].occupancy.uid,
 )
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='occ_Ba',
-    param_uid=project.sample_models['lbco'].atom_sites['Ba'].occupancy.uid,
+    param_uid=project.structures['lbco'].atom_sites['Ba'].occupancy.uid,
 )
 
 # %% [markdown]
 # Set more constraints.
 
 # %%
-project.analysis.constraints.add(
-    lhs_alias='occ_Ba',
-    rhs_expr='1 - occ_La',
+project.analysis.constraints.create(
+    expression='occ_Ba = 1 - occ_La',
 )
 
 # %% [markdown]
@@ -663,10 +664,10 @@
 project.analysis.apply_constraints()
 
 # %% [markdown]
-# Set sample model parameters to be refined.
+# Set structure parameters to be refined.
 
 # %%
-project.sample_models['lbco'].atom_sites['La'].occupancy.free = True
+project.structures['lbco'].atom_sites['La'].occupancy.free = True
 
 # %% [markdown]
 # Show free parameters after selection.
diff --git a/docs/docs/tutorials/ed-4.ipynb b/docs/docs/tutorials/ed-4.ipynb
new file mode 100644
index 00000000..0b784054
--- /dev/null
+++ b/docs/docs/tutorials/ed-4.ipynb
@@ -0,0 +1,705 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: PbSO4, NPD + XRD\n",
+    "\n",
+    "This example demonstrates a more advanced use of the EasyDiffraction\n",
+    "library by explicitly creating and configuring structures and\n",
+    "experiments before adding them to a project. It could be more suitable\n",
+    "for users who are interested in creating custom workflows. This\n",
+    "tutorial provides minimal explanation and is intended for users\n",
+    "already familiar with EasyDiffraction.\n",
+    "\n",
+    "The tutorial covers a Rietveld refinement of PbSO4 crystal structure\n",
+    "based on the joint fit of both X-ray and neutron diffraction data."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structure\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='pbso4')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'P n m a'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 8.47\n",
+    "structure.cell.length_b = 5.39\n",
+    "structure.cell.length_c = 6.95"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {
+    "lines_to_next_cell": 2
+   },
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Pb',\n",
+    "    type_symbol='Pb',\n",
+    "    fract_x=0.1876,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.167,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=1.37,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='S',\n",
+    "    type_symbol='S',\n",
+    "    fract_x=0.0654,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.684,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.3777,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O1',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.9082,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.5954,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=1.9764,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O2',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.1935,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.5432,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=1.4456,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O3',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.0811,\n",
+    "    fract_y=0.0272,\n",
+    "    fract_z=0.8086,\n",
+    "    wyckoff_letter='d',\n",
+    "    b_iso=1.2822,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Define Experiments\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined in the previous step.\n",
+    "\n",
+    "### Experiment 1: npd\n",
+    "\n",
+    "#### Download Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path1 = download_data(id=13, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt1 = ExperimentFactory.from_data_path(\n",
+    "    name='npd',\n",
+    "    data_path=data_path1,\n",
+    "    radiation_probe='neutron',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt1.instrument.setup_wavelength = 1.91\n",
+    "expt1.instrument.calib_twotheta_offset = -0.1406"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt1.peak.broad_gauss_u = 0.139\n",
+    "expt1.peak.broad_gauss_v = -0.412\n",
+    "expt1.peak.broad_gauss_w = 0.386\n",
+    "expt1.peak.broad_lorentz_x = 0\n",
+    "expt1.peak.broad_lorentz_y = 0.088"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "20",
+   "metadata": {},
+   "source": [
+    "Select the background type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt1.background_type = 'line-segment'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "22",
+   "metadata": {},
+   "source": [
+    "Add background points."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "23",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for id, x, y in [\n",
+    "    ('1', 11.0, 206.1624),\n",
+    "    ('2', 15.0, 194.75),\n",
+    "    ('3', 20.0, 194.505),\n",
+    "    ('4', 30.0, 188.4375),\n",
+    "    ('5', 50.0, 207.7633),\n",
+    "    ('6', 70.0, 201.7002),\n",
+    "    ('7', 120.0, 244.4525),\n",
+    "    ('8', 153.0, 226.0595),\n",
+    "]:\n",
+    "    expt1.background.create(id=id, x=x, y=y)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "24",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt1.linked_phases.create(id='pbso4', scale=1.5)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "26",
+   "metadata": {},
+   "source": [
+    "### Experiment 2: xrd\n",
+    "\n",
+    "#### Download Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "27",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path2 = download_data(id=16, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "28",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "29",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt2 = ExperimentFactory.from_data_path(\n",
+    "    name='xrd',\n",
+    "    data_path=data_path2,\n",
+    "    radiation_probe='xray',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "30",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "31",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt2.instrument.setup_wavelength = 1.540567\n",
+    "expt2.instrument.calib_twotheta_offset = -0.05181"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "32",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "33",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt2.peak.broad_gauss_u = 0.304138\n",
+    "expt2.peak.broad_gauss_v = -0.112622\n",
+    "expt2.peak.broad_gauss_w = 0.021272\n",
+    "expt2.peak.broad_lorentz_x = 0\n",
+    "expt2.peak.broad_lorentz_y = 0.057691"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "34",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "35",
+   "metadata": {},
+   "source": [
+    "Select background type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "36",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt2.background_type = 'chebyshev'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "37",
+   "metadata": {},
+   "source": [
+    "Add background points."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "38",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for id, x, y in [\n",
+    "    ('1', 0, 119.195),\n",
+    "    ('2', 1, 6.221),\n",
+    "    ('3', 2, -45.725),\n",
+    "    ('4', 3, 8.119),\n",
+    "    ('5', 4, 54.552),\n",
+    "    ('6', 5, -20.661),\n",
+    "]:\n",
+    "    expt2.background.create(id=id, order=x, coef=y)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt2.linked_phases.create(id='pbso4', scale=0.001)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object is used to manage structures, experiments, and\n",
+    "analysis.\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "43",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "44",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "45",
+   "metadata": {},
+   "source": [
+    "#### Add Experiments"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "46",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(expt1)\n",
+    "project.experiments.add(expt2)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "47",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section outlines the analysis process, including how to configure\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Fit Mode"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "48",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit_mode.mode = 'joint'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "49",
+   "metadata": {},
+   "source": [
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "50",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51",
+   "metadata": {},
+   "source": [
+    "#### Set Fitting Parameters\n",
+    "\n",
+    "Set structure parameters to be optimized."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "52",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "structure.cell.length_b.free = True\n",
+    "structure.cell.length_c.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "53",
+   "metadata": {},
+   "source": [
+    "Set experiment parameters to be optimized."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "54",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt1.linked_phases['pbso4'].scale.free = True\n",
+    "\n",
+    "expt1.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "expt1.peak.broad_gauss_u.free = True\n",
+    "expt1.peak.broad_gauss_v.free = True\n",
+    "expt1.peak.broad_gauss_w.free = True\n",
+    "expt1.peak.broad_lorentz_y.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "55",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt2.linked_phases['pbso4'].scale.free = True\n",
+    "\n",
+    "expt2.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "expt2.peak.broad_gauss_u.free = True\n",
+    "expt2.peak.broad_gauss_v.free = True\n",
+    "expt2.peak.broad_gauss_w.free = True\n",
+    "expt2.peak.broad_lorentz_y.free = True\n",
+    "\n",
+    "for term in expt2.background:\n",
+    "    term.coef.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "56",
+   "metadata": {},
+   "source": [
+    "#### Perform Fit"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "57",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "58",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "59",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='npd', x_min=35.5, x_max=38.3, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "60",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='xrd', x_min=29.0, x_max=30.4, show_residual=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-4.py b/docs/docs/tutorials/ed-4.py
similarity index 78%
rename from tutorials/ed-4.py
rename to docs/docs/tutorials/ed-4.py
index ce857a2a..3275deab 100644
--- a/tutorials/ed-4.py
+++ b/docs/docs/tutorials/ed-4.py
@@ -2,7 +2,7 @@
 # # Structure Refinement: PbSO4, NPD + XRD
 #
 # This example demonstrates a more advanced use of the EasyDiffraction
-# library by explicitly creating and configuring sample models and
+# library by explicitly creating and configuring structures and
 # experiments before adding them to a project. It could be more suitable
 # for users who are interested in creating custom workflows. This
 # tutorial provides minimal explanation and is intended for users
@@ -17,39 +17,39 @@
 # %%
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 # %% [markdown]
-# ## Define Sample Model
+# ## Define Structure
 #
-# This section shows how to add sample models and modify their
+# This section shows how to add structures and modify their
 # parameters.
 #
-# #### Create Sample Model
+# #### Create Structure
 
 # %%
-model = SampleModelFactory.create(name='pbso4')
+structure = StructureFactory.from_scratch(name='pbso4')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model.space_group.name_h_m = 'P n m a'
+structure.space_group.name_h_m = 'P n m a'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 # %%
-model.cell.length_a = 8.47
-model.cell.length_b = 5.39
-model.cell.length_c = 6.95
+structure.cell.length_a = 8.47
+structure.cell.length_b = 5.39
+structure.cell.length_c = 6.95
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Pb',
     type_symbol='Pb',
     fract_x=0.1876,
@@ -58,7 +58,7 @@
     wyckoff_letter='c',
     b_iso=1.37,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='S',
     type_symbol='S',
     fract_x=0.0654,
@@ -67,7 +67,7 @@
     wyckoff_letter='c',
     b_iso=0.3777,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O1',
     type_symbol='O',
     fract_x=0.9082,
@@ -76,7 +76,7 @@
     wyckoff_letter='c',
     b_iso=1.9764,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O2',
     type_symbol='O',
     fract_x=0.1935,
@@ -85,7 +85,7 @@
     wyckoff_letter='c',
     b_iso=1.4456,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O3',
     type_symbol='O',
     fract_x=0.0811,
@@ -100,7 +100,7 @@
 # ## Define Experiments
 #
 # This section shows how to add experiments, configure their parameters,
-# and link the sample models defined in the previous step.
+# and link the structures defined in the previous step.
 #
 # ### Experiment 1: npd
 #
@@ -113,7 +113,7 @@
 # #### Create Experiment
 
 # %%
-expt1 = ExperimentFactory.create(
+expt1 = ExperimentFactory.from_data_path(
     name='npd',
     data_path=data_path1,
     radiation_probe='neutron',
@@ -159,13 +159,13 @@
     ('7', 120.0, 244.4525),
     ('8', 153.0, 226.0595),
 ]:
-    expt1.background.add(id=id, x=x, y=y)
+    expt1.background.create(id=id, x=x, y=y)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-expt1.linked_phases.add(id='pbso4', scale=1.5)
+expt1.linked_phases.create(id='pbso4', scale=1.5)
 
 # %% [markdown]
 # ### Experiment 2: xrd
@@ -179,7 +179,7 @@
 # #### Create Experiment
 
 # %%
-expt2 = ExperimentFactory.create(
+expt2 = ExperimentFactory.from_data_path(
     name='xrd',
     data_path=data_path2,
     radiation_probe='xray',
@@ -209,7 +209,7 @@
 # Select background type.
 
 # %%
-expt2.background_type = 'chebyshev polynomial'
+expt2.background_type = 'chebyshev'
 
 # %% [markdown]
 # Add background points.
@@ -223,18 +223,18 @@
     ('5', 4, 54.552),
     ('6', 5, -20.661),
 ]:
-    expt2.background.add(id=id, order=x, coef=y)
+    expt2.background.create(id=id, order=x, coef=y)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-expt2.linked_phases.add(id='pbso4', scale=0.001)
+expt2.linked_phases.create(id='pbso4', scale=0.001)
 
 # %% [markdown]
 # ## Define Project
 #
-# The project object is used to manage sample models, experiments, and
+# The project object is used to manage structures, experiments, and
 # analysis.
 #
 # #### Create Project
@@ -243,17 +243,17 @@
 project = Project()
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project.sample_models.add(sample_model=model)
+project.structures.add(structure)
 
 # %% [markdown]
 # #### Add Experiments
 
 # %%
-project.experiments.add(experiment=expt1)
-project.experiments.add(experiment=expt2)
+project.experiments.add(expt1)
+project.experiments.add(expt2)
 
 # %% [markdown]
 # ## Perform Analysis
@@ -261,32 +261,26 @@
 # This section outlines the analysis process, including how to configure
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Fit Mode
 
 # %%
-project.analysis.fit_mode = 'joint'
+project.analysis.fit_mode.mode = 'joint'
 
 # %% [markdown]
 # #### Set Minimizer
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # #### Set Fitting Parameters
 #
-# Set sample model parameters to be optimized.
+# Set structure parameters to be optimized.
 
 # %%
-model.cell.length_a.free = True
-model.cell.length_b.free = True
-model.cell.length_c.free = True
+structure.cell.length_a.free = True
+structure.cell.length_b.free = True
+structure.cell.length_c.free = True
 
 # %% [markdown]
 # Set experiment parameters to be optimized.
diff --git a/docs/docs/tutorials/ed-5.ipynb b/docs/docs/tutorials/ed-5.ipynb
new file mode 100644
index 00000000..903fe2ae
--- /dev/null
+++ b/docs/docs/tutorials/ed-5.ipynb
@@ -0,0 +1,637 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: Co2SiO4, D20\n",
+    "\n",
+    "This example demonstrates a Rietveld refinement of Co2SiO4 crystal\n",
+    "structure using constant wavelength neutron powder diffraction data\n",
+    "from D20 at ILL."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structure\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='cosio')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'P n m a'\n",
+    "structure.space_group.it_coordinate_system_code = 'abc'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 10.3\n",
+    "structure.cell.length_b = 6.0\n",
+    "structure.cell.length_c = 4.8"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Co1',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Co2',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0.279,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.985,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0.094,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.429,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O1',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.091,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.771,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O2',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.448,\n",
+    "    fract_y=0.25,\n",
+    "    fract_z=0.217,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O3',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.164,\n",
+    "    fract_y=0.032,\n",
+    "    fract_z=0.28,\n",
+    "    wyckoff_letter='d',\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Define Experiment\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined in the previous step.\n",
+    "\n",
+    "#### Download Measured Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = download_data(id=12, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt = ExperimentFactory.from_data_path(name='d20', data_path=data_path)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.instrument.setup_wavelength = 1.87\n",
+    "expt.instrument.calib_twotheta_offset = 0.1"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.peak.broad_gauss_u = 0.3\n",
+    "expt.peak.broad_gauss_v = -0.5\n",
+    "expt.peak.broad_gauss_w = 0.4"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.background.create(id='1', x=8, y=500)\n",
+    "expt.background.create(id='2', x=9, y=500)\n",
+    "expt.background.create(id='3', x=10, y=500)\n",
+    "expt.background.create(id='4', x=11, y=500)\n",
+    "expt.background.create(id='5', x=12, y=500)\n",
+    "expt.background.create(id='6', x=15, y=500)\n",
+    "expt.background.create(id='7', x=25, y=500)\n",
+    "expt.background.create(id='8', x=30, y=500)\n",
+    "expt.background.create(id='9', x=50, y=500)\n",
+    "expt.background.create(id='10', x=70, y=500)\n",
+    "expt.background.create(id='11', x=90, y=500)\n",
+    "expt.background.create(id='12', x=110, y=500)\n",
+    "expt.background.create(id='13', x=130, y=500)\n",
+    "expt.background.create(id='14', x=150, y=500)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.linked_phases.create(id='cosio', scale=1.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object is used to manage the structure, experiment, and\n",
+    "analysis.\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "#### Set Plotting Engine"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "#### Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "30",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(expt)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "31",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section shows the analysis process, including how to set up\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "32",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "33",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "34",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='d20', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "35",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='d20', x_min=41, x_max=54, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "36",
+   "metadata": {},
+   "source": [
+    "#### Set Free Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "37",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "structure.cell.length_b.free = True\n",
+    "structure.cell.length_c.free = True\n",
+    "\n",
+    "structure.atom_sites['Co2'].fract_x.free = True\n",
+    "structure.atom_sites['Co2'].fract_z.free = True\n",
+    "structure.atom_sites['Si'].fract_x.free = True\n",
+    "structure.atom_sites['Si'].fract_z.free = True\n",
+    "structure.atom_sites['O1'].fract_x.free = True\n",
+    "structure.atom_sites['O1'].fract_z.free = True\n",
+    "structure.atom_sites['O2'].fract_x.free = True\n",
+    "structure.atom_sites['O2'].fract_z.free = True\n",
+    "structure.atom_sites['O3'].fract_x.free = True\n",
+    "structure.atom_sites['O3'].fract_y.free = True\n",
+    "structure.atom_sites['O3'].fract_z.free = True\n",
+    "\n",
+    "structure.atom_sites['Co1'].b_iso.free = True\n",
+    "structure.atom_sites['Co2'].b_iso.free = True\n",
+    "structure.atom_sites['Si'].b_iso.free = True\n",
+    "structure.atom_sites['O1'].b_iso.free = True\n",
+    "structure.atom_sites['O2'].b_iso.free = True\n",
+    "structure.atom_sites['O3'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "38",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.linked_phases['cosio'].scale.free = True\n",
+    "\n",
+    "expt.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "expt.peak.broad_gauss_u.free = True\n",
+    "expt.peak.broad_gauss_v.free = True\n",
+    "expt.peak.broad_gauss_w.free = True\n",
+    "expt.peak.broad_lorentz_y.free = True\n",
+    "\n",
+    "for point in expt.background:\n",
+    "    point.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {},
+   "source": [
+    "#### Set Constraints\n",
+    "\n",
+    "Set aliases for parameters."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.aliases.create(\n",
+    "    label='biso_Co1',\n",
+    "    param_uid=project.structures['cosio'].atom_sites['Co1'].b_iso.uid,\n",
+    ")\n",
+    "project.analysis.aliases.create(\n",
+    "    label='biso_Co2',\n",
+    "    param_uid=project.structures['cosio'].atom_sites['Co2'].b_iso.uid,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "Set constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.constraints.create(\n",
+    "    expression='biso_Co2 = biso_Co1',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "43",
+   "metadata": {},
+   "source": [
+    "Apply constraints."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "44",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.apply_constraints()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "45",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "46",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "47",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "48",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='d20', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "49",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='d20', x_min=41, x_max=54, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "50",
+   "metadata": {},
+   "source": [
+    "## Summary\n",
+    "\n",
+    "This final section shows how to review the results of the analysis."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "51",
+   "metadata": {},
+   "source": [
+    "#### Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "52",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-5.py b/docs/docs/tutorials/ed-5.py
similarity index 58%
rename from tutorials/ed-5.py
rename to docs/docs/tutorials/ed-5.py
index 0e46baa8..74e1d887 100644
--- a/tutorials/ed-5.py
+++ b/docs/docs/tutorials/ed-5.py
@@ -11,40 +11,40 @@
 # %%
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 # %% [markdown]
-# ## Define Sample Model
+# ## Define Structure
 #
-# This section shows how to add sample models and modify their
+# This section shows how to add structures and modify their
 # parameters.
 #
-# #### Create Sample Model
+# #### Create Structure
 
 # %%
-model = SampleModelFactory.create(name='cosio')
+structure = StructureFactory.from_scratch(name='cosio')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model.space_group.name_h_m = 'P n m a'
-model.space_group.it_coordinate_system_code = 'abc'
+structure.space_group.name_h_m = 'P n m a'
+structure.space_group.it_coordinate_system_code = 'abc'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 # %%
-model.cell.length_a = 10.3
-model.cell.length_b = 6.0
-model.cell.length_c = 4.8
+structure.cell.length_a = 10.3
+structure.cell.length_b = 6.0
+structure.cell.length_c = 4.8
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Co1',
     type_symbol='Co',
     fract_x=0,
@@ -53,7 +53,7 @@
     wyckoff_letter='a',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Co2',
     type_symbol='Co',
     fract_x=0.279,
@@ -62,7 +62,7 @@
     wyckoff_letter='c',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Si',
     type_symbol='Si',
     fract_x=0.094,
@@ -71,7 +71,7 @@
     wyckoff_letter='c',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O1',
     type_symbol='O',
     fract_x=0.091,
@@ -80,7 +80,7 @@
     wyckoff_letter='c',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O2',
     type_symbol='O',
     fract_x=0.448,
@@ -89,7 +89,7 @@
     wyckoff_letter='c',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O3',
     type_symbol='O',
     fract_x=0.164,
@@ -103,7 +103,7 @@
 # ## Define Experiment
 #
 # This section shows how to add experiments, configure their parameters,
-# and link the sample models defined in the previous step.
+# and link the structures defined in the previous step.
 #
 # #### Download Measured Data
 
@@ -114,7 +114,7 @@
 # #### Create Experiment
 
 # %%
-expt = ExperimentFactory.create(name='d20', data_path=data_path)
+expt = ExperimentFactory.from_data_path(name='d20', data_path=data_path)
 
 # %% [markdown]
 # #### Set Instrument
@@ -135,31 +135,31 @@
 # #### Set Background
 
 # %%
-expt.background.add(id='1', x=8, y=500)
-expt.background.add(id='2', x=9, y=500)
-expt.background.add(id='3', x=10, y=500)
-expt.background.add(id='4', x=11, y=500)
-expt.background.add(id='5', x=12, y=500)
-expt.background.add(id='6', x=15, y=500)
-expt.background.add(id='7', x=25, y=500)
-expt.background.add(id='8', x=30, y=500)
-expt.background.add(id='9', x=50, y=500)
-expt.background.add(id='10', x=70, y=500)
-expt.background.add(id='11', x=90, y=500)
-expt.background.add(id='12', x=110, y=500)
-expt.background.add(id='13', x=130, y=500)
-expt.background.add(id='14', x=150, y=500)
+expt.background.create(id='1', x=8, y=500)
+expt.background.create(id='2', x=9, y=500)
+expt.background.create(id='3', x=10, y=500)
+expt.background.create(id='4', x=11, y=500)
+expt.background.create(id='5', x=12, y=500)
+expt.background.create(id='6', x=15, y=500)
+expt.background.create(id='7', x=25, y=500)
+expt.background.create(id='8', x=30, y=500)
+expt.background.create(id='9', x=50, y=500)
+expt.background.create(id='10', x=70, y=500)
+expt.background.create(id='11', x=90, y=500)
+expt.background.create(id='12', x=110, y=500)
+expt.background.create(id='13', x=130, y=500)
+expt.background.create(id='14', x=150, y=500)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-expt.linked_phases.add(id='cosio', scale=1.0)
+expt.linked_phases.create(id='cosio', scale=1.0)
 
 # %% [markdown]
 # ## Define Project
 #
-# The project object is used to manage the sample model, experiment, and
+# The project object is used to manage the structure, experiment, and
 # analysis.
 #
 # #### Create Project
@@ -176,16 +176,16 @@
 # project.plotter.engine = 'plotly'
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project.sample_models.add(sample_model=model)
+project.structures.add(structure)
 
 # %% [markdown]
 # #### Add Experiment
 
 # %%
-project.experiments.add(experiment=expt)
+project.experiments.add(expt)
 
 # %% [markdown]
 # ## Perform Analysis
@@ -193,16 +193,10 @@
 # This section shows the analysis process, including how to set up
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Minimizer
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # #### Plot Measured vs Calculated
@@ -217,28 +211,28 @@
 # #### Set Free Parameters
 
 # %%
-model.cell.length_a.free = True
-model.cell.length_b.free = True
-model.cell.length_c.free = True
-
-model.atom_sites['Co2'].fract_x.free = True
-model.atom_sites['Co2'].fract_z.free = True
-model.atom_sites['Si'].fract_x.free = True
-model.atom_sites['Si'].fract_z.free = True
-model.atom_sites['O1'].fract_x.free = True
-model.atom_sites['O1'].fract_z.free = True
-model.atom_sites['O2'].fract_x.free = True
-model.atom_sites['O2'].fract_z.free = True
-model.atom_sites['O3'].fract_x.free = True
-model.atom_sites['O3'].fract_y.free = True
-model.atom_sites['O3'].fract_z.free = True
-
-model.atom_sites['Co1'].b_iso.free = True
-model.atom_sites['Co2'].b_iso.free = True
-model.atom_sites['Si'].b_iso.free = True
-model.atom_sites['O1'].b_iso.free = True
-model.atom_sites['O2'].b_iso.free = True
-model.atom_sites['O3'].b_iso.free = True
+structure.cell.length_a.free = True
+structure.cell.length_b.free = True
+structure.cell.length_c.free = True
+
+structure.atom_sites['Co2'].fract_x.free = True
+structure.atom_sites['Co2'].fract_z.free = True
+structure.atom_sites['Si'].fract_x.free = True
+structure.atom_sites['Si'].fract_z.free = True
+structure.atom_sites['O1'].fract_x.free = True
+structure.atom_sites['O1'].fract_z.free = True
+structure.atom_sites['O2'].fract_x.free = True
+structure.atom_sites['O2'].fract_z.free = True
+structure.atom_sites['O3'].fract_x.free = True
+structure.atom_sites['O3'].fract_y.free = True
+structure.atom_sites['O3'].fract_z.free = True
+
+structure.atom_sites['Co1'].b_iso.free = True
+structure.atom_sites['Co2'].b_iso.free = True
+structure.atom_sites['Si'].b_iso.free = True
+structure.atom_sites['O1'].b_iso.free = True
+structure.atom_sites['O2'].b_iso.free = True
+structure.atom_sites['O3'].b_iso.free = True
 
 # %%
 expt.linked_phases['cosio'].scale.free = True
@@ -259,22 +253,21 @@
 # Set aliases for parameters.
 
 # %%
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='biso_Co1',
-    param_uid=project.sample_models['cosio'].atom_sites['Co1'].b_iso.uid,
+    param_uid=project.structures['cosio'].atom_sites['Co1'].b_iso.uid,
 )
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='biso_Co2',
-    param_uid=project.sample_models['cosio'].atom_sites['Co2'].b_iso.uid,
+    param_uid=project.structures['cosio'].atom_sites['Co2'].b_iso.uid,
 )
 
 # %% [markdown]
 # Set constraints.
 
 # %%
-project.analysis.constraints.add(
-    lhs_alias='biso_Co2',
-    rhs_expr='biso_Co1',
+project.analysis.constraints.create(
+    expression='biso_Co2 = biso_Co1',
 )
 
 # %% [markdown]
diff --git a/docs/docs/tutorials/ed-6.ipynb b/docs/docs/tutorials/ed-6.ipynb
new file mode 100644
index 00000000..599c09eb
--- /dev/null
+++ b/docs/docs/tutorials/ed-6.ipynb
@@ -0,0 +1,849 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: HS, HRPT\n",
+    "\n",
+    "This example demonstrates a Rietveld refinement of HS crystal\n",
+    "structure using constant wavelength neutron powder diffraction data\n",
+    "from HRPT at PSI."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structure\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='hs')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'R -3 m'\n",
+    "structure.space_group.it_coordinate_system_code = 'h'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {
+    "lines_to_next_cell": 2
+   },
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 6.9\n",
+    "structure.cell.length_c = 14.1"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Zn',\n",
+    "    type_symbol='Zn',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Cu',\n",
+    "    type_symbol='Cu',\n",
+    "    fract_x=0.5,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='e',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='O',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0.21,\n",
+    "    fract_y=-0.21,\n",
+    "    fract_z=0.06,\n",
+    "    wyckoff_letter='h',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Cl',\n",
+    "    type_symbol='Cl',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0.197,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.5,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='H',\n",
+    "    type_symbol='2H',\n",
+    "    fract_x=0.13,\n",
+    "    fract_y=-0.13,\n",
+    "    fract_z=0.08,\n",
+    "    wyckoff_letter='h',\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Define Experiment\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined in the previous step.\n",
+    "\n",
+    "#### Download Measured Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = download_data(id=11, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt = ExperimentFactory.from_data_path(name='hrpt', data_path=data_path)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.instrument.setup_wavelength = 1.89\n",
+    "expt.instrument.calib_twotheta_offset = 0.0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.peak.broad_gauss_u = 0.1\n",
+    "expt.peak.broad_gauss_v = -0.2\n",
+    "expt.peak.broad_gauss_w = 0.2\n",
+    "expt.peak.broad_lorentz_x = 0.0\n",
+    "expt.peak.broad_lorentz_y = 0"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.background.create(id='1', x=4.4196, y=500)\n",
+    "expt.background.create(id='2', x=6.6207, y=500)\n",
+    "expt.background.create(id='3', x=10.4918, y=500)\n",
+    "expt.background.create(id='4', x=15.4634, y=500)\n",
+    "expt.background.create(id='5', x=45.6041, y=500)\n",
+    "expt.background.create(id='6', x=74.6844, y=500)\n",
+    "expt.background.create(id='7', x=103.4187, y=500)\n",
+    "expt.background.create(id='8', x=121.6311, y=500)\n",
+    "expt.background.create(id='9', x=159.4116, y=500)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.linked_phases.create(id='hs', scale=0.5)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object is used to manage the structure, experiment, and\n",
+    "analysis.\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "#### Set Plotting Engine"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "#### Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "30",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(expt)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "31",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section shows the analysis process, including how to set up\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "32",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "33",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "34",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "35",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=48, x_max=51, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "36",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 1/5\n",
+    "\n",
+    "Set parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "37",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "structure.cell.length_c.free = True\n",
+    "\n",
+    "expt.linked_phases['hs'].scale.free = True\n",
+    "expt.instrument.calib_twotheta_offset.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "38",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "39",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "40",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "41",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "43",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "44",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "45",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=48, x_max=51, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "46",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 2/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "47",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.peak.broad_gauss_u.free = True\n",
+    "expt.peak.broad_gauss_v.free = True\n",
+    "expt.peak.broad_gauss_w.free = True\n",
+    "expt.peak.broad_lorentz_x.free = True\n",
+    "\n",
+    "for point in expt.background:\n",
+    "    point.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "48",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "49",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "50",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "51",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "52",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "53",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "54",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "55",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=48, x_max=51, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "56",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 3/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "57",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites['O'].fract_x.free = True\n",
+    "structure.atom_sites['O'].fract_z.free = True\n",
+    "structure.atom_sites['Cl'].fract_z.free = True\n",
+    "structure.atom_sites['H'].fract_x.free = True\n",
+    "structure.atom_sites['H'].fract_z.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "58",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "59",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "60",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "61",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "62",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "63",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "64",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "65",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=48, x_max=51, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "66",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 4/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "67",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites['Zn'].b_iso.free = True\n",
+    "structure.atom_sites['Cu'].b_iso.free = True\n",
+    "structure.atom_sites['O'].b_iso.free = True\n",
+    "structure.atom_sites['Cl'].b_iso.free = True\n",
+    "structure.atom_sites['H'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "68",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "69",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "70",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "71",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "72",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "73",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "74",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "75",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='hrpt', x_min=48, x_max=51, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "76",
+   "metadata": {},
+   "source": [
+    "## Summary\n",
+    "\n",
+    "This final section shows how to review the results of the analysis."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "77",
+   "metadata": {},
+   "source": [
+    "#### Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "78",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-6.py b/docs/docs/tutorials/ed-6.py
similarity index 73%
rename from tutorials/ed-6.py
rename to docs/docs/tutorials/ed-6.py
index 106a088c..e0339c91 100644
--- a/tutorials/ed-6.py
+++ b/docs/docs/tutorials/ed-6.py
@@ -11,40 +11,40 @@
 # %%
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 # %% [markdown]
-# ## Define Sample Model
+# ## Define Structure
 #
-# This section shows how to add sample models and modify their
+# This section shows how to add structures and modify their
 # parameters.
 #
-# #### Create Sample Model
+# #### Create Structure
 
 # %%
-model = SampleModelFactory.create(name='hs')
+structure = StructureFactory.from_scratch(name='hs')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model.space_group.name_h_m = 'R -3 m'
-model.space_group.it_coordinate_system_code = 'h'
+structure.space_group.name_h_m = 'R -3 m'
+structure.space_group.it_coordinate_system_code = 'h'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 
 # %%
-model.cell.length_a = 6.9
-model.cell.length_c = 14.1
+structure.cell.length_a = 6.9
+structure.cell.length_c = 14.1
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Zn',
     type_symbol='Zn',
     fract_x=0,
@@ -53,7 +53,7 @@
     wyckoff_letter='b',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Cu',
     type_symbol='Cu',
     fract_x=0.5,
@@ -62,7 +62,7 @@
     wyckoff_letter='e',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='O',
     type_symbol='O',
     fract_x=0.21,
@@ -71,7 +71,7 @@
     wyckoff_letter='h',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Cl',
     type_symbol='Cl',
     fract_x=0,
@@ -80,7 +80,7 @@
     wyckoff_letter='c',
     b_iso=0.5,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='H',
     type_symbol='2H',
     fract_x=0.13,
@@ -94,7 +94,7 @@
 # ## Define Experiment
 #
 # This section shows how to add experiments, configure their parameters,
-# and link the sample models defined in the previous step.
+# and link the structures defined in the previous step.
 #
 # #### Download Measured Data
 
@@ -105,7 +105,7 @@
 # #### Create Experiment
 
 # %%
-expt = ExperimentFactory.create(name='hrpt', data_path=data_path)
+expt = ExperimentFactory.from_data_path(name='hrpt', data_path=data_path)
 
 # %% [markdown]
 # #### Set Instrument
@@ -128,26 +128,26 @@
 # #### Set Background
 
 # %%
-expt.background.add(id='1', x=4.4196, y=500)
-expt.background.add(id='2', x=6.6207, y=500)
-expt.background.add(id='3', x=10.4918, y=500)
-expt.background.add(id='4', x=15.4634, y=500)
-expt.background.add(id='5', x=45.6041, y=500)
-expt.background.add(id='6', x=74.6844, y=500)
-expt.background.add(id='7', x=103.4187, y=500)
-expt.background.add(id='8', x=121.6311, y=500)
-expt.background.add(id='9', x=159.4116, y=500)
+expt.background.create(id='1', x=4.4196, y=500)
+expt.background.create(id='2', x=6.6207, y=500)
+expt.background.create(id='3', x=10.4918, y=500)
+expt.background.create(id='4', x=15.4634, y=500)
+expt.background.create(id='5', x=45.6041, y=500)
+expt.background.create(id='6', x=74.6844, y=500)
+expt.background.create(id='7', x=103.4187, y=500)
+expt.background.create(id='8', x=121.6311, y=500)
+expt.background.create(id='9', x=159.4116, y=500)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-expt.linked_phases.add(id='hs', scale=0.5)
+expt.linked_phases.create(id='hs', scale=0.5)
 
 # %% [markdown]
 # ## Define Project
 #
-# The project object is used to manage the sample model, experiment, and
+# The project object is used to manage the structure, experiment, and
 # analysis.
 #
 # #### Create Project
@@ -164,16 +164,16 @@
 # project.plotter.engine = 'plotly'
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project.sample_models.add(sample_model=model)
+project.structures.add(structure)
 
 # %% [markdown]
 # #### Add Experiment
 
 # %%
-project.experiments.add(experiment=expt)
+project.experiments.add(expt)
 
 # %% [markdown]
 # ## Perform Analysis
@@ -181,16 +181,10 @@
 # This section shows the analysis process, including how to set up
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Minimizer
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # #### Plot Measured vs Calculated
@@ -207,8 +201,8 @@
 # Set parameters to be refined.
 
 # %%
-model.cell.length_a.free = True
-model.cell.length_c.free = True
+structure.cell.length_a.free = True
+structure.cell.length_c.free = True
 
 expt.linked_phases['hs'].scale.free = True
 expt.instrument.calib_twotheta_offset.free = True
@@ -281,11 +275,11 @@
 # Set more parameters to be refined.
 
 # %%
-model.atom_sites['O'].fract_x.free = True
-model.atom_sites['O'].fract_z.free = True
-model.atom_sites['Cl'].fract_z.free = True
-model.atom_sites['H'].fract_x.free = True
-model.atom_sites['H'].fract_z.free = True
+structure.atom_sites['O'].fract_x.free = True
+structure.atom_sites['O'].fract_z.free = True
+structure.atom_sites['Cl'].fract_z.free = True
+structure.atom_sites['H'].fract_x.free = True
+structure.atom_sites['H'].fract_z.free = True
 
 # %% [markdown]
 # Show free parameters after selection.
@@ -317,11 +311,11 @@
 # Set more parameters to be refined.
 
 # %%
-model.atom_sites['Zn'].b_iso.free = True
-model.atom_sites['Cu'].b_iso.free = True
-model.atom_sites['O'].b_iso.free = True
-model.atom_sites['Cl'].b_iso.free = True
-model.atom_sites['H'].b_iso.free = True
+structure.atom_sites['Zn'].b_iso.free = True
+structure.atom_sites['Cu'].b_iso.free = True
+structure.atom_sites['O'].b_iso.free = True
+structure.atom_sites['Cl'].b_iso.free = True
+structure.atom_sites['H'].b_iso.free = True
 
 # %% [markdown]
 # Show free parameters after selection.
diff --git a/docs/docs/tutorials/ed-7.ipynb b/docs/docs/tutorials/ed-7.ipynb
new file mode 100644
index 00000000..869dc723
--- /dev/null
+++ b/docs/docs/tutorials/ed-7.ipynb
@@ -0,0 +1,741 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: Si, SEPD\n",
+    "\n",
+    "This example demonstrates a Rietveld refinement of Si crystal\n",
+    "structure using time-of-flight neutron powder diffraction data from\n",
+    "SEPD at Argonne."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structure\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'F d -3 m'\n",
+    "structure.space_group.it_coordinate_system_code = '2'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 5.431"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0.125,\n",
+    "    fract_y=0.125,\n",
+    "    fract_z=0.125,\n",
+    "    b_iso=0.5,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Define Experiment\n",
+    "\n",
+    "This section shows how to add experiments, configure their\n",
+    "parameters, and link the structures defined in the previous step.\n",
+    "\n",
+    "#### Download Measured Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = download_data(id=7, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt = ExperimentFactory.from_data_path(\n",
+    "    name='sepd', data_path=data_path, beam_mode='time-of-flight'\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.instrument.setup_twotheta_bank = 144.845\n",
+    "expt.instrument.calib_d_to_tof_offset = 0.0\n",
+    "expt.instrument.calib_d_to_tof_linear = 7476.91\n",
+    "expt.instrument.calib_d_to_tof_quad = -1.54"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'\n",
+    "expt.peak.broad_gauss_sigma_0 = 3.0\n",
+    "expt.peak.broad_gauss_sigma_1 = 40.0\n",
+    "expt.peak.broad_gauss_sigma_2 = 2.0\n",
+    "expt.peak.broad_mix_beta_0 = 0.04221\n",
+    "expt.peak.broad_mix_beta_1 = 0.00946"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Asymmetry"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.peak.asym_alpha_0 = 0.0\n",
+    "expt.peak.asym_alpha_1 = 0.5971"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.background_type = 'line-segment'\n",
+    "for x in range(0, 35000, 5000):\n",
+    "    expt.background.create(id=str(x), x=x, y=200)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.linked_phases.create(id='si', scale=10.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object is used to manage the structure, experiment, and\n",
+    "analysis.\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "#### Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "30",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(expt)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "31",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section shows the analysis process, including how to set up\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "32",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "33",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "34",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=True)\n",
+    "project.plot_meas_vs_calc(expt_name='sepd', x_min=23200, x_max=23700, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "35",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 1/5\n",
+    "\n",
+    "Set parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "36",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a.free = True\n",
+    "\n",
+    "expt.linked_phases['si'].scale.free = True\n",
+    "expt.instrument.calib_d_to_tof_offset.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "37",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "38",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "39",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "40",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "41",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "42",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "43",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', x_min=23200, x_max=23700, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "44",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 2/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "45",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for point in expt.background:\n",
+    "    point.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "46",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "47",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "48",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "49",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "50",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "51",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "52",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', x_min=23200, x_max=23700, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "53",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 3/5\n",
+    "\n",
+    "Fix background points."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "54",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "for point in expt.background:\n",
+    "    point.y.free = False"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "55",
+   "metadata": {},
+   "source": [
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "56",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt.peak.broad_gauss_sigma_0.free = True\n",
+    "expt.peak.broad_gauss_sigma_1.free = True\n",
+    "expt.peak.broad_gauss_sigma_2.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "57",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "58",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "59",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "60",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "61",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "62",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "63",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', x_min=23200, x_max=23700, show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "64",
+   "metadata": {},
+   "source": [
+    "### Perform Fit 4/5\n",
+    "\n",
+    "Set more parameters to be refined."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "65",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites['Si'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "66",
+   "metadata": {},
+   "source": [
+    "Show free parameters after selection."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "67",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.show_free_params()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "68",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "69",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "70",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "71",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "72",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='sepd', x_min=23200, x_max=23700, show_residual=True)"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-7.py b/docs/docs/tutorials/ed-7.py
similarity index 82%
rename from tutorials/ed-7.py
rename to docs/docs/tutorials/ed-7.py
index 1e12be88..cd719154 100644
--- a/tutorials/ed-7.py
+++ b/docs/docs/tutorials/ed-7.py
@@ -11,38 +11,38 @@
 # %%
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 # %% [markdown]
-# ## Define Sample Model
+# ## Define Structure
 #
-# This section shows how to add sample models and modify their
+# This section shows how to add structures and modify their
 # parameters.
 #
-# #### Create Sample Model
+# #### Create Structure
 
 # %%
-model = SampleModelFactory.create(name='si')
+structure = StructureFactory.from_scratch(name='si')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model.space_group.name_h_m = 'F d -3 m'
-model.space_group.it_coordinate_system_code = '2'
+structure.space_group.name_h_m = 'F d -3 m'
+structure.space_group.it_coordinate_system_code = '2'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 # %%
-model.cell.length_a = 5.431
+structure.cell.length_a = 5.431
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Si',
     type_symbol='Si',
     fract_x=0.125,
@@ -55,7 +55,7 @@
 # ## Define Experiment
 #
 # This section shows how to add experiments, configure their
-# parameters, and link the sample models defined in the previous step.
+# parameters, and link the structures defined in the previous step.
 #
 # #### Download Measured Data
 
@@ -66,7 +66,9 @@
 # #### Create Experiment
 
 # %%
-expt = ExperimentFactory.create(name='sepd', data_path=data_path, beam_mode='time-of-flight')
+expt = ExperimentFactory.from_data_path(
+    name='sepd', data_path=data_path, beam_mode='time-of-flight'
+)
 
 # %% [markdown]
 # #### Set Instrument
@@ -101,18 +103,18 @@
 # %%
 expt.background_type = 'line-segment'
 for x in range(0, 35000, 5000):
-    expt.background.add(id=str(x), x=x, y=200)
+    expt.background.create(id=str(x), x=x, y=200)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-expt.linked_phases.add(id='si', scale=10.0)
+expt.linked_phases.create(id='si', scale=10.0)
 
 # %% [markdown]
 # ## Define Project
 #
-# The project object is used to manage the sample model, experiment, and
+# The project object is used to manage the structure, experiment, and
 # analysis.
 #
 # #### Create Project
@@ -121,16 +123,16 @@
 project = Project()
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project.sample_models.add(sample_model=model)
+project.structures.add(structure)
 
 # %% [markdown]
 # #### Add Experiment
 
 # %%
-project.experiments.add(experiment=expt)
+project.experiments.add(expt)
 
 # %% [markdown]
 # ## Perform Analysis
@@ -138,16 +140,10 @@
 # This section shows the analysis process, including how to set up
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Minimizer
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # #### Plot Measured vs Calculated
@@ -162,7 +158,7 @@
 # Set parameters to be refined.
 
 # %%
-model.cell.length_a.free = True
+structure.cell.length_a.free = True
 
 expt.linked_phases['si'].scale.free = True
 expt.instrument.calib_d_to_tof_offset.free = True
@@ -265,7 +261,7 @@
 # Set more parameters to be refined.
 
 # %%
-model.atom_sites['Si'].b_iso.free = True
+structure.atom_sites['Si'].b_iso.free = True
 
 # %% [markdown]
 # Show free parameters after selection.
diff --git a/docs/docs/tutorials/ed-8.ipynb b/docs/docs/tutorials/ed-8.ipynb
new file mode 100644
index 00000000..4bc42ad1
--- /dev/null
+++ b/docs/docs/tutorials/ed-8.ipynb
@@ -0,0 +1,747 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: NCAF, WISH\n",
+    "\n",
+    "This example demonstrates a Rietveld refinement of Na2Ca3Al2F14\n",
+    "crystal structure using time-of-flight neutron powder diffraction data\n",
+    "from WISH at ISIS.\n",
+    "\n",
+    "Two datasets from detector banks 5+6 and 4+7 are used for joint\n",
+    "fitting."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structure\n",
+    "\n",
+    "This section covers how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "#### Create Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='ncaf')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.space_group.name_h_m = 'I 21 3'\n",
+    "structure.space_group.it_coordinate_system_code = '1'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.cell.length_a = 10.250256"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites.create(\n",
+    "    label='Ca',\n",
+    "    type_symbol='Ca',\n",
+    "    fract_x=0.4663,\n",
+    "    fract_y=0.0,\n",
+    "    fract_z=0.25,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=0.92,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Al',\n",
+    "    type_symbol='Al',\n",
+    "    fract_x=0.2521,\n",
+    "    fract_y=0.2521,\n",
+    "    fract_z=0.2521,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.73,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='Na',\n",
+    "    type_symbol='Na',\n",
+    "    fract_x=0.0851,\n",
+    "    fract_y=0.0851,\n",
+    "    fract_z=0.0851,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=2.08,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='F1',\n",
+    "    type_symbol='F',\n",
+    "    fract_x=0.1377,\n",
+    "    fract_y=0.3054,\n",
+    "    fract_z=0.1195,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=0.90,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='F2',\n",
+    "    type_symbol='F',\n",
+    "    fract_x=0.3625,\n",
+    "    fract_y=0.3633,\n",
+    "    fract_z=0.1867,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=1.37,\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='F3',\n",
+    "    type_symbol='F',\n",
+    "    fract_x=0.4612,\n",
+    "    fract_y=0.4612,\n",
+    "    fract_z=0.4612,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.88,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## Define Experiment\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined in the previous step.\n",
+    "\n",
+    "#### Download Measured Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path56 = download_data(id=9, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "13",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path47 = download_data(id=10, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "14",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "15",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56 = ExperimentFactory.from_data_path(\n",
+    "    name='wish_5_6',\n",
+    "    data_path=data_path56,\n",
+    "    beam_mode='time-of-flight',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt47 = ExperimentFactory.from_data_path(\n",
+    "    name='wish_4_7',\n",
+    "    data_path=data_path47,\n",
+    "    beam_mode='time-of-flight',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56.instrument.setup_twotheta_bank = 152.827\n",
+    "expt56.instrument.calib_d_to_tof_offset = -13.5\n",
+    "expt56.instrument.calib_d_to_tof_linear = 20773.0\n",
+    "expt56.instrument.calib_d_to_tof_quad = -1.08308"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "19",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt47.instrument.setup_twotheta_bank = 121.660\n",
+    "expt47.instrument.calib_d_to_tof_offset = -15.0\n",
+    "expt47.instrument.calib_d_to_tof_linear = 18660.0\n",
+    "expt47.instrument.calib_d_to_tof_quad = -0.47488"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "20",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56.peak.broad_gauss_sigma_0 = 0.0\n",
+    "expt56.peak.broad_gauss_sigma_1 = 0.0\n",
+    "expt56.peak.broad_gauss_sigma_2 = 15.5\n",
+    "expt56.peak.broad_mix_beta_0 = 0.007\n",
+    "expt56.peak.broad_mix_beta_1 = 0.01\n",
+    "expt56.peak.asym_alpha_0 = -0.0094\n",
+    "expt56.peak.asym_alpha_1 = 0.1"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt47.peak.broad_gauss_sigma_0 = 0.0\n",
+    "expt47.peak.broad_gauss_sigma_1 = 29.8\n",
+    "expt47.peak.broad_gauss_sigma_2 = 18.0\n",
+    "expt47.peak.broad_mix_beta_0 = 0.006\n",
+    "expt47.peak.broad_mix_beta_1 = 0.015\n",
+    "expt47.peak.asym_alpha_0 = -0.0115\n",
+    "expt47.peak.asym_alpha_1 = 0.1"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56.background_type = 'line-segment'\n",
+    "for idx, (x, y) in enumerate(\n",
+    "    [\n",
+    "        (9162, 465),\n",
+    "        (11136, 593),\n",
+    "        (13313, 497),\n",
+    "        (14906, 546),\n",
+    "        (16454, 533),\n",
+    "        (17352, 496),\n",
+    "        (18743, 428),\n",
+    "        (20179, 452),\n",
+    "        (21368, 397),\n",
+    "        (22176, 468),\n",
+    "        (22827, 477),\n",
+    "        (24644, 380),\n",
+    "        (26439, 381),\n",
+    "        (28257, 378),\n",
+    "        (31196, 343),\n",
+    "        (34034, 328),\n",
+    "        (37265, 310),\n",
+    "        (41214, 323),\n",
+    "        (44827, 283),\n",
+    "        (49830, 273),\n",
+    "        (52905, 257),\n",
+    "        (58204, 260),\n",
+    "        (62916, 261),\n",
+    "        (70186, 262),\n",
+    "        (74204, 262),\n",
+    "        (82103, 268),\n",
+    "        (91958, 268),\n",
+    "        (102712, 262),\n",
+    "    ],\n",
+    "    start=1,\n",
+    "):\n",
+    "    expt56.background.create(id=str(idx), x=x, y=y)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "25",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt47.background_type = 'line-segment'\n",
+    "for idx, (x, y) in enumerate(\n",
+    "    [\n",
+    "        (9090, 488),\n",
+    "        (10672, 566),\n",
+    "        (12287, 494),\n",
+    "        (14037, 559),\n",
+    "        (15451, 529),\n",
+    "        (16764, 445),\n",
+    "        (18076, 460),\n",
+    "        (19456, 413),\n",
+    "        (20466, 511),\n",
+    "        (21880, 396),\n",
+    "        (23798, 391),\n",
+    "        (25447, 385),\n",
+    "        (28073, 349),\n",
+    "        (30058, 332),\n",
+    "        (32583, 309),\n",
+    "        (34804, 355),\n",
+    "        (37160, 318),\n",
+    "        (40324, 290),\n",
+    "        (46895, 260),\n",
+    "        (50631, 256),\n",
+    "        (54602, 246),\n",
+    "        (58439, 264),\n",
+    "        (66520, 250),\n",
+    "        (75002, 258),\n",
+    "        (83649, 257),\n",
+    "        (92770, 255),\n",
+    "        (101524, 260),\n",
+    "    ],\n",
+    "    start=1,\n",
+    "):\n",
+    "    expt47.background.create(id=str(idx), x=x, y=y)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "26",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "27",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56.linked_phases.create(id='ncaf', scale=1.0)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "28",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt47.linked_phases.create(id='ncaf', scale=2.0)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "29",
+   "metadata": {},
+   "source": [
+    "#### Set Excluded Regions"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "30",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56.excluded_regions.create(id='1', start=0, end=10010)\n",
+    "expt56.excluded_regions.create(id='2', start=100010, end=200000)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "31",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt47.excluded_regions.create(id='1', start=0, end=10006)\n",
+    "expt47.excluded_regions.create(id='2', start=100004, end=200000)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "32",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object is used to manage the structure, experiments,\n",
+    "and analysis\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "33",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "34",
+   "metadata": {},
+   "source": [
+    "#### Set Plotting Engine"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "35",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Keep the auto-selected engine. Alternatively, you can uncomment the\n",
+    "# line below to explicitly set the engine to the required one.\n",
+    "# project.plotter.engine = 'plotly'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "36",
+   "metadata": {},
+   "source": [
+    "#### Add Structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "37",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "38",
+   "metadata": {},
+   "source": [
+    "#### Add Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "39",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(expt56)\n",
+    "project.experiments.add(expt47)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "40",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section shows the analysis process, including how to set up\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "41",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "42",
+   "metadata": {},
+   "source": [
+    "#### Set Fit Mode"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "43",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit_mode.mode = 'joint'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "44",
+   "metadata": {},
+   "source": [
+    "#### Set Free Parameters"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "45",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure.atom_sites['Ca'].b_iso.free = True\n",
+    "structure.atom_sites['Al'].b_iso.free = True\n",
+    "structure.atom_sites['Na'].b_iso.free = True\n",
+    "structure.atom_sites['F1'].b_iso.free = True\n",
+    "structure.atom_sites['F2'].b_iso.free = True\n",
+    "structure.atom_sites['F3'].b_iso.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "46",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "expt56.linked_phases['ncaf'].scale.free = True\n",
+    "expt56.instrument.calib_d_to_tof_offset.free = True\n",
+    "expt56.instrument.calib_d_to_tof_linear.free = True\n",
+    "expt56.peak.broad_gauss_sigma_2.free = True\n",
+    "expt56.peak.broad_mix_beta_0.free = True\n",
+    "expt56.peak.broad_mix_beta_1.free = True\n",
+    "expt56.peak.asym_alpha_1.free = True\n",
+    "\n",
+    "expt47.linked_phases['ncaf'].scale.free = True\n",
+    "expt47.instrument.calib_d_to_tof_linear.free = True\n",
+    "expt47.instrument.calib_d_to_tof_offset.free = True\n",
+    "expt47.peak.broad_gauss_sigma_2.free = True\n",
+    "expt47.peak.broad_mix_beta_0.free = True\n",
+    "expt47.peak.broad_mix_beta_1.free = True\n",
+    "expt47.peak.asym_alpha_1.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "47",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "48",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='wish_5_6', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "49",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='wish_4_7', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "50",
+   "metadata": {},
+   "source": [
+    "#### Run Fitting"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "51",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "52",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "53",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='wish_5_6', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "54",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='wish_4_7', show_residual=True)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "55",
+   "metadata": {},
+   "source": [
+    "## Summary\n",
+    "\n",
+    "This final section shows how to review the results of the analysis."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "56",
+   "metadata": {},
+   "source": [
+    "#### Show Project Summary"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "57",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.summary.show_report()"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-8.py b/docs/docs/tutorials/ed-8.py
similarity index 79%
rename from tutorials/ed-8.py
rename to docs/docs/tutorials/ed-8.py
index 2aa85227..b8cdf0bd 100644
--- a/tutorials/ed-8.py
+++ b/docs/docs/tutorials/ed-8.py
@@ -14,38 +14,38 @@
 # %%
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 # %% [markdown]
-# ## Define Sample Model
+# ## Define Structure
 #
-# This section covers how to add sample models and modify their
+# This section covers how to add structures and modify their
 # parameters.
 #
-# #### Create Sample Model
+# #### Create Structure
 
 # %%
-model = SampleModelFactory.create(name='ncaf')
+structure = StructureFactory.from_scratch(name='ncaf')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model.space_group.name_h_m = 'I 21 3'
-model.space_group.it_coordinate_system_code = '1'
+structure.space_group.name_h_m = 'I 21 3'
+structure.space_group.it_coordinate_system_code = '1'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 # %%
-model.cell.length_a = 10.250256
+structure.cell.length_a = 10.250256
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Ca',
     type_symbol='Ca',
     fract_x=0.4663,
@@ -54,7 +54,7 @@
     wyckoff_letter='b',
     b_iso=0.92,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Al',
     type_symbol='Al',
     fract_x=0.2521,
@@ -63,7 +63,7 @@
     wyckoff_letter='a',
     b_iso=0.73,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='Na',
     type_symbol='Na',
     fract_x=0.0851,
@@ -72,7 +72,7 @@
     wyckoff_letter='a',
     b_iso=2.08,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='F1',
     type_symbol='F',
     fract_x=0.1377,
@@ -81,7 +81,7 @@
     wyckoff_letter='c',
     b_iso=0.90,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='F2',
     type_symbol='F',
     fract_x=0.3625,
@@ -90,7 +90,7 @@
     wyckoff_letter='c',
     b_iso=1.37,
 )
-model.atom_sites.add(
+structure.atom_sites.create(
     label='F3',
     type_symbol='F',
     fract_x=0.4612,
@@ -104,7 +104,7 @@
 # ## Define Experiment
 #
 # This section shows how to add experiments, configure their parameters,
-# and link the sample models defined in the previous step.
+# and link the structures defined in the previous step.
 #
 # #### Download Measured Data
 
@@ -118,14 +118,14 @@
 # #### Create Experiment
 
 # %%
-expt56 = ExperimentFactory.create(
+expt56 = ExperimentFactory.from_data_path(
     name='wish_5_6',
     data_path=data_path56,
     beam_mode='time-of-flight',
 )
 
 # %%
-expt47 = ExperimentFactory.create(
+expt47 = ExperimentFactory.from_data_path(
     name='wish_4_7',
     data_path=data_path47,
     beam_mode='time-of-flight',
@@ -205,7 +205,7 @@
     ],
     start=1,
 ):
-    expt56.background.add(id=str(idx), x=x, y=y)
+    expt56.background.create(id=str(idx), x=x, y=y)
 
 # %%
 expt47.background_type = 'line-segment'
@@ -241,32 +241,32 @@
     ],
     start=1,
 ):
-    expt47.background.add(id=str(idx), x=x, y=y)
+    expt47.background.create(id=str(idx), x=x, y=y)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-expt56.linked_phases.add(id='ncaf', scale=1.0)
+expt56.linked_phases.create(id='ncaf', scale=1.0)
 
 # %%
-expt47.linked_phases.add(id='ncaf', scale=2.0)
+expt47.linked_phases.create(id='ncaf', scale=2.0)
 
 # %% [markdown]
 # #### Set Excluded Regions
 
 # %%
-expt56.excluded_regions.add(id='1', start=0, end=10010)
-expt56.excluded_regions.add(id='2', start=100010, end=200000)
+expt56.excluded_regions.create(id='1', start=0, end=10010)
+expt56.excluded_regions.create(id='2', start=100010, end=200000)
 
 # %%
-expt47.excluded_regions.add(id='1', start=0, end=10006)
-expt47.excluded_regions.add(id='2', start=100004, end=200000)
+expt47.excluded_regions.create(id='1', start=0, end=10006)
+expt47.excluded_regions.create(id='2', start=100004, end=200000)
 
 # %% [markdown]
 # ## Define Project
 #
-# The project object is used to manage the sample model, experiments,
+# The project object is used to manage the structure, experiments,
 # and analysis
 #
 # #### Create Project
@@ -283,17 +283,17 @@
 # project.plotter.engine = 'plotly'
 
 # %% [markdown]
-# #### Add Sample Model
+# #### Add Structure
 
 # %%
-project.sample_models.add(sample_model=model)
+project.structures.add(structure)
 
 # %% [markdown]
 # #### Add Experiment
 
 # %%
-project.experiments.add(experiment=expt56)
-project.experiments.add(experiment=expt47)
+project.experiments.add(expt56)
+project.experiments.add(expt47)
 
 # %% [markdown]
 # ## Perform Analysis
@@ -301,33 +301,27 @@
 # This section shows the analysis process, including how to set up
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Minimizer
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # #### Set Fit Mode
 
 # %%
-project.analysis.fit_mode = 'joint'
+project.analysis.fit_mode.mode = 'joint'
 
 # %% [markdown]
 # #### Set Free Parameters
 
 # %%
-model.atom_sites['Ca'].b_iso.free = True
-model.atom_sites['Al'].b_iso.free = True
-model.atom_sites['Na'].b_iso.free = True
-model.atom_sites['F1'].b_iso.free = True
-model.atom_sites['F2'].b_iso.free = True
-model.atom_sites['F3'].b_iso.free = True
+structure.atom_sites['Ca'].b_iso.free = True
+structure.atom_sites['Al'].b_iso.free = True
+structure.atom_sites['Na'].b_iso.free = True
+structure.atom_sites['F1'].b_iso.free = True
+structure.atom_sites['F2'].b_iso.free = True
+structure.atom_sites['F3'].b_iso.free = True
 
 # %%
 expt56.linked_phases['ncaf'].scale.free = True
diff --git a/docs/docs/tutorials/ed-9.ipynb b/docs/docs/tutorials/ed-9.ipynb
new file mode 100644
index 00000000..735964ae
--- /dev/null
+++ b/docs/docs/tutorials/ed-9.ipynb
@@ -0,0 +1,704 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "id": "0",
+   "metadata": {},
+   "source": [
+    "# Structure Refinement: LBCO+Si, McStas\n",
+    "\n",
+    "This example demonstrates a Rietveld refinement of La0.5Ba0.5CoO3\n",
+    "crystal structure with a small amount of Si phase using time-of-flight\n",
+    "neutron powder diffraction data simulated with McStas."
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "## Import Library"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import Project\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction import download_data"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Define Structures\n",
+    "\n",
+    "This section shows how to add structures and modify their\n",
+    "parameters.\n",
+    "\n",
+    "### Create Structure 1: LBCO"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_1 = StructureFactory.from_scratch(name='lbco')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_1.space_group.name_h_m = 'P m -3 m'\n",
+    "structure_1.space_group.it_coordinate_system_code = '1'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_1.cell.length_a = 3.8909"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_1.atom_sites.create(\n",
+    "    label='La',\n",
+    "    type_symbol='La',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.2,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "structure_1.atom_sites.create(\n",
+    "    label='Ba',\n",
+    "    type_symbol='Ba',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0,\n",
+    "    fract_z=0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.2,\n",
+    "    occupancy=0.5,\n",
+    ")\n",
+    "structure_1.atom_sites.create(\n",
+    "    label='Co',\n",
+    "    type_symbol='Co',\n",
+    "    fract_x=0.5,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='b',\n",
+    "    b_iso=0.2567,\n",
+    ")\n",
+    "structure_1.atom_sites.create(\n",
+    "    label='O',\n",
+    "    type_symbol='O',\n",
+    "    fract_x=0,\n",
+    "    fract_y=0.5,\n",
+    "    fract_z=0.5,\n",
+    "    wyckoff_letter='c',\n",
+    "    b_iso=1.4041,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "### Create Structure 2: Si"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_2 = StructureFactory.from_scratch(name='si')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "#### Set Space Group"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_2.space_group.name_h_m = 'F d -3 m'\n",
+    "structure_2.space_group.it_coordinate_system_code = '2'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "#### Set Unit Cell"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_2.cell.length_a = 5.43146"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "#### Set Atom Sites"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_2.atom_sites.create(\n",
+    "    label='Si',\n",
+    "    type_symbol='Si',\n",
+    "    fract_x=0.0,\n",
+    "    fract_y=0.0,\n",
+    "    fract_z=0.0,\n",
+    "    wyckoff_letter='a',\n",
+    "    b_iso=0.0,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "## Define Experiment\n",
+    "\n",
+    "This section shows how to add experiments, configure their parameters,\n",
+    "and link the structures defined in the previous step.\n",
+    "\n",
+    "#### Download Data"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "data_path = download_data(id=8, destination='data')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "21",
+   "metadata": {},
+   "source": [
+    "#### Create Experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = ExperimentFactory.from_data_path(\n",
+    "    name='mcstas',\n",
+    "    data_path=data_path,\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='time-of-flight',\n",
+    "    radiation_probe='neutron',\n",
+    "    scattering_type='bragg',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "#### Set Instrument"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.instrument.setup_twotheta_bank = 94.90931761529106\n",
+    "experiment.instrument.calib_d_to_tof_offset = 0.0\n",
+    "experiment.instrument.calib_d_to_tof_linear = 58724.76869981215\n",
+    "experiment.instrument.calib_d_to_tof_quad = -0.00001"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "#### Set Peak Profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# experiment.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'\n",
+    "experiment.peak.broad_gauss_sigma_0 = 45137\n",
+    "experiment.peak.broad_gauss_sigma_1 = -52394\n",
+    "experiment.peak.broad_gauss_sigma_2 = 22998\n",
+    "experiment.peak.broad_mix_beta_0 = 0.0055\n",
+    "experiment.peak.broad_mix_beta_1 = 0.0041\n",
+    "experiment.peak.asym_alpha_0 = 0\n",
+    "experiment.peak.asym_alpha_1 = 0.0097"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "27",
+   "metadata": {},
+   "source": [
+    "#### Set Background"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "28",
+   "metadata": {},
+   "source": [
+    "Select the background type."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "29",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.background_type = 'line-segment'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "30",
+   "metadata": {},
+   "source": [
+    "Add background points."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "31",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.background.create(id='1', x=45000, y=0.2)\n",
+    "experiment.background.create(id='2', x=50000, y=0.2)\n",
+    "experiment.background.create(id='3', x=55000, y=0.2)\n",
+    "experiment.background.create(id='4', x=65000, y=0.2)\n",
+    "experiment.background.create(id='5', x=70000, y=0.2)\n",
+    "experiment.background.create(id='6', x=75000, y=0.2)\n",
+    "experiment.background.create(id='7', x=80000, y=0.2)\n",
+    "experiment.background.create(id='8', x=85000, y=0.2)\n",
+    "experiment.background.create(id='9', x=90000, y=0.2)\n",
+    "experiment.background.create(id='10', x=95000, y=0.2)\n",
+    "experiment.background.create(id='11', x=100000, y=0.2)\n",
+    "experiment.background.create(id='12', x=105000, y=0.2)\n",
+    "experiment.background.create(id='13', x=110000, y=0.2)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "32",
+   "metadata": {},
+   "source": [
+    "#### Set Linked Phases"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "33",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_phases.create(id='lbco', scale=4.0)\n",
+    "experiment.linked_phases.create(id='si', scale=0.2)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "34",
+   "metadata": {},
+   "source": [
+    "## Define Project\n",
+    "\n",
+    "The project object is used to manage structures, experiments, and\n",
+    "analysis.\n",
+    "\n",
+    "#### Create Project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "35",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "36",
+   "metadata": {},
+   "source": [
+    "#### Add Structures"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "37",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.add(structure_1)\n",
+    "project.structures.add(structure_2)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "38",
+   "metadata": {},
+   "source": [
+    "#### Show Structures"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "39",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.structures.show_names()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "40",
+   "metadata": {},
+   "source": [
+    "#### Add Experiments"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "41",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments.add(experiment)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "42",
+   "metadata": {},
+   "source": [
+    "#### Set Excluded Regions\n",
+    "\n",
+    "Show measured data as loaded from the file."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "43",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas(expt_name='mcstas')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "44",
+   "metadata": {},
+   "source": [
+    "Add excluded regions."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "45",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.excluded_regions.create(id='1', start=0, end=40000)\n",
+    "experiment.excluded_regions.create(id='2', start=108000, end=200000)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "46",
+   "metadata": {},
+   "source": [
+    "Show excluded regions."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "47",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.excluded_regions.show()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "48",
+   "metadata": {},
+   "source": [
+    "Show measured data after adding excluded regions."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "49",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas(expt_name='mcstas')"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "50",
+   "metadata": {},
+   "source": [
+    "Show experiment as CIF."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "51",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.experiments['mcstas'].show_as_cif()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "52",
+   "metadata": {},
+   "source": [
+    "## Perform Analysis\n",
+    "\n",
+    "This section outlines the analysis process, including how to configure\n",
+    "calculation and fitting engines.\n",
+    "\n",
+    "#### Set Minimizer"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "53",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.current_minimizer = 'lmfit'"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "54",
+   "metadata": {},
+   "source": [
+    "#### Set Fitting Parameters\n",
+    "\n",
+    "Set structure parameters to be optimized."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "55",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure_1.cell.length_a.free = True\n",
+    "structure_1.atom_sites['Co'].b_iso.free = True\n",
+    "structure_1.atom_sites['O'].b_iso.free = True\n",
+    "\n",
+    "structure_2.cell.length_a.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "56",
+   "metadata": {},
+   "source": [
+    "Set experiment parameters to be optimized."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "57",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_phases['lbco'].scale.free = True\n",
+    "experiment.linked_phases['si'].scale.free = True\n",
+    "\n",
+    "experiment.peak.broad_gauss_sigma_0.free = True\n",
+    "experiment.peak.broad_gauss_sigma_1.free = True\n",
+    "experiment.peak.broad_gauss_sigma_2.free = True\n",
+    "\n",
+    "experiment.peak.asym_alpha_1.free = True\n",
+    "experiment.peak.broad_mix_beta_0.free = True\n",
+    "experiment.peak.broad_mix_beta_1.free = True\n",
+    "\n",
+    "for point in experiment.background:\n",
+    "    point.y.free = True"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "58",
+   "metadata": {},
+   "source": [
+    "#### Perform Fit"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "59",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()\n",
+    "project.analysis.show_fit_results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "60",
+   "metadata": {},
+   "source": [
+    "#### Plot Measured vs Calculated"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "61",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.plot_meas_vs_calc(expt_name='mcstas')"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "62",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/tutorials/ed-9.py b/docs/docs/tutorials/ed-9.py
similarity index 65%
rename from tutorials/ed-9.py
rename to docs/docs/tutorials/ed-9.py
index a5fe1647..34da9359 100644
--- a/tutorials/ed-9.py
+++ b/docs/docs/tutorials/ed-9.py
@@ -11,38 +11,38 @@
 # %%
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 # %% [markdown]
-# ## Define Sample Models
+# ## Define Structures
 #
-# This section shows how to add sample models and modify their
+# This section shows how to add structures and modify their
 # parameters.
 #
-# ### Create Sample Model 1: LBCO
+# ### Create Structure 1: LBCO
 
 # %%
-model_1 = SampleModelFactory.create(name='lbco')
+structure_1 = StructureFactory.from_scratch(name='lbco')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model_1.space_group.name_h_m = 'P m -3 m'
-model_1.space_group.it_coordinate_system_code = '1'
+structure_1.space_group.name_h_m = 'P m -3 m'
+structure_1.space_group.it_coordinate_system_code = '1'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 # %%
-model_1.cell.length_a = 3.8909
+structure_1.cell.length_a = 3.8909
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model_1.atom_sites.add(
+structure_1.atom_sites.create(
     label='La',
     type_symbol='La',
     fract_x=0,
@@ -52,7 +52,7 @@
     b_iso=0.2,
     occupancy=0.5,
 )
-model_1.atom_sites.add(
+structure_1.atom_sites.create(
     label='Ba',
     type_symbol='Ba',
     fract_x=0,
@@ -62,7 +62,7 @@
     b_iso=0.2,
     occupancy=0.5,
 )
-model_1.atom_sites.add(
+structure_1.atom_sites.create(
     label='Co',
     type_symbol='Co',
     fract_x=0.5,
@@ -71,7 +71,7 @@
     wyckoff_letter='b',
     b_iso=0.2567,
 )
-model_1.atom_sites.add(
+structure_1.atom_sites.create(
     label='O',
     type_symbol='O',
     fract_x=0,
@@ -82,29 +82,29 @@
 )
 
 # %% [markdown]
-# ### Create Sample Model 2: Si
+# ### Create Structure 2: Si
 
 # %%
-model_2 = SampleModelFactory.create(name='si')
+structure_2 = StructureFactory.from_scratch(name='si')
 
 # %% [markdown]
 # #### Set Space Group
 
 # %%
-model_2.space_group.name_h_m = 'F d -3 m'
-model_2.space_group.it_coordinate_system_code = '2'
+structure_2.space_group.name_h_m = 'F d -3 m'
+structure_2.space_group.it_coordinate_system_code = '2'
 
 # %% [markdown]
 # #### Set Unit Cell
 
 # %%
-model_2.cell.length_a = 5.43146
+structure_2.cell.length_a = 5.43146
 
 # %% [markdown]
 # #### Set Atom Sites
 
 # %%
-model_2.atom_sites.add(
+structure_2.atom_sites.create(
     label='Si',
     type_symbol='Si',
     fract_x=0.0,
@@ -118,7 +118,7 @@
 # ## Define Experiment
 #
 # This section shows how to add experiments, configure their parameters,
-# and link the sample models defined in the previous step.
+# and link the structures defined in the previous step.
 #
 # #### Download Data
 
@@ -129,7 +129,7 @@
 # #### Create Experiment
 
 # %%
-experiment = ExperimentFactory.create(
+experiment = ExperimentFactory.from_data_path(
     name='mcstas',
     data_path=data_path,
     sample_form='powder',
@@ -173,31 +173,31 @@
 # Add background points.
 
 # %%
-experiment.background.add(id='1', x=45000, y=0.2)
-experiment.background.add(id='2', x=50000, y=0.2)
-experiment.background.add(id='3', x=55000, y=0.2)
-experiment.background.add(id='4', x=65000, y=0.2)
-experiment.background.add(id='5', x=70000, y=0.2)
-experiment.background.add(id='6', x=75000, y=0.2)
-experiment.background.add(id='7', x=80000, y=0.2)
-experiment.background.add(id='8', x=85000, y=0.2)
-experiment.background.add(id='9', x=90000, y=0.2)
-experiment.background.add(id='10', x=95000, y=0.2)
-experiment.background.add(id='11', x=100000, y=0.2)
-experiment.background.add(id='12', x=105000, y=0.2)
-experiment.background.add(id='13', x=110000, y=0.2)
+experiment.background.create(id='1', x=45000, y=0.2)
+experiment.background.create(id='2', x=50000, y=0.2)
+experiment.background.create(id='3', x=55000, y=0.2)
+experiment.background.create(id='4', x=65000, y=0.2)
+experiment.background.create(id='5', x=70000, y=0.2)
+experiment.background.create(id='6', x=75000, y=0.2)
+experiment.background.create(id='7', x=80000, y=0.2)
+experiment.background.create(id='8', x=85000, y=0.2)
+experiment.background.create(id='9', x=90000, y=0.2)
+experiment.background.create(id='10', x=95000, y=0.2)
+experiment.background.create(id='11', x=100000, y=0.2)
+experiment.background.create(id='12', x=105000, y=0.2)
+experiment.background.create(id='13', x=110000, y=0.2)
 
 # %% [markdown]
 # #### Set Linked Phases
 
 # %%
-experiment.linked_phases.add(id='lbco', scale=4.0)
-experiment.linked_phases.add(id='si', scale=0.2)
+experiment.linked_phases.create(id='lbco', scale=4.0)
+experiment.linked_phases.create(id='si', scale=0.2)
 
 # %% [markdown]
 # ## Define Project
 #
-# The project object is used to manage sample models, experiments, and
+# The project object is used to manage structures, experiments, and
 # analysis.
 #
 # #### Create Project
@@ -206,23 +206,23 @@
 project = Project()
 
 # %% [markdown]
-# #### Add Sample Models
+# #### Add Structures
 
 # %%
-project.sample_models.add(sample_model=model_1)
-project.sample_models.add(sample_model=model_2)
+project.structures.add(structure_1)
+project.structures.add(structure_2)
 
 # %% [markdown]
-# #### Show Sample Models
+# #### Show Structures
 
 # %%
-project.sample_models.show_names()
+project.structures.show_names()
 
 # %% [markdown]
 # #### Add Experiments
 
 # %%
-project.experiments.add(experiment=experiment)
+project.experiments.add(experiment)
 
 # %% [markdown]
 # #### Set Excluded Regions
@@ -236,8 +236,8 @@
 # Add excluded regions.
 
 # %%
-experiment.excluded_regions.add(id='1', start=0, end=40000)
-experiment.excluded_regions.add(id='2', start=108000, end=200000)
+experiment.excluded_regions.create(id='1', start=0, end=40000)
+experiment.excluded_regions.create(id='2', start=108000, end=200000)
 
 # %% [markdown]
 # Show excluded regions.
@@ -263,28 +263,22 @@
 # This section outlines the analysis process, including how to configure
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Minimizer
 
 # %%
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 
 # %% [markdown]
 # #### Set Fitting Parameters
 #
-# Set sample model parameters to be optimized.
+# Set structure parameters to be optimized.
 
 # %%
-model_1.cell.length_a.free = True
-model_1.atom_sites['Co'].b_iso.free = True
-model_1.atom_sites['O'].b_iso.free = True
+structure_1.cell.length_a.free = True
+structure_1.atom_sites['Co'].b_iso.free = True
+structure_1.atom_sites['O'].b_iso.free = True
 
-model_2.cell.length_a.free = True
+structure_2.cell.length_a.free = True
 
 # %% [markdown]
 # Set experiment parameters to be optimized.
diff --git a/tutorials/index.json b/docs/docs/tutorials/index.json
similarity index 73%
rename from tutorials/index.json
rename to docs/docs/tutorials/index.json
index 983499fd..3f2f223c 100644
--- a/tutorials/index.json
+++ b/docs/docs/tutorials/index.json
@@ -3,14 +3,14 @@
     "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-1/ed-1.ipynb",
     "original_name": "quick_from-cif_pd-neut-cwl_LBCO-HRPT",
     "title": "Quick Start: LBCO from CIF",
-    "description": "Minimalistic Rietveld refinement of La0.5Ba0.5CoO3 using sample model and experiment defined via CIF files",
+    "description": "Minimalistic Rietveld refinement of La0.5Ba0.5CoO3 using structure and experiment defined via CIF files",
     "level": "quick"
   },
   "2": {
     "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-2/ed-2.ipynb",
     "original_name": "quick_from-code_pd-neut-cwl_LBCO-HRPT",
     "title": "Quick Start: LBCO from Code",
-    "description": "Minimalistic Rietveld refinement of La0.5Ba0.5CoO3 with sample model and experiment defined directly in code",
+    "description": "Minimalistic Rietveld refinement of La0.5Ba0.5CoO3 with structure and experiment defined directly in code",
     "level": "quick"
   },
   "3": {
@@ -86,8 +86,36 @@
   "13": {
     "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-13/ed-13.ipynb",
     "original_name": "dmsc-summer-school-2025_analysis-powder-diffraction",
-    "title": "DMSC Summer School 2025: Powder Diffraction Analysis",
+    "title": "DMSC Summer School: Powder Diffraction Analysis",
     "description": "Comprehensive workshop tutorial covering Rietveld refinement of Si and La0.5Ba0.5CoO3 using simulated powder diffraction data",
     "level": "workshop"
+  },
+  "14": {
+    "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-14/ed-14.ipynb",
+    "original_name": "",
+    "title": "Crystal Structure: Tb2TiO7, HEiDi",
+    "description": "Crystal structure refinement of Tb2TiO7 using single crystal neutron diffraction data from HEiDi at FRM II",
+    "level": "intermediate"
+  },
+  "15": {
+    "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-15/ed-15.ipynb",
+    "original_name": "",
+    "title": "Crystal Structure: Taurine, SENJU (TOF)",
+    "description": "Crystal structure refinement of Taurine using time-of-flight neutron single crystal diffraction data from SENJU at J-PARC",
+    "level": "intermediate"
+  },
+  "16": {
+    "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-16/ed-16.ipynb",
+    "original_name": "advanced_joint-fit_bragg-pdf_pd-neut-tof_Si",
+    "title": "Advanced: Si Joint Bragg+PDF Fit",
+    "description": "Joint refinement of Si crystal structure combining Bragg diffraction (SEPD) and pair distribution function (NOMAD) analysis",
+    "level": "advanced"
+  },
+  "17": {
+    "url": "https://easyscience.github.io/diffraction-lib/{version}/tutorials/ed-17/ed-17.ipynb",
+    "original_name": "",
+    "title": "Structure Refinement: Co2SiO4, D20 (Temperature scan)",
+    "description": "Sequential Rietveld refinement of Co2SiO4 using constant wavelength neutron powder diffraction data from D20 at ILL across a temperature scan",
+    "level": "advanced"
   }
 }
diff --git a/docs/docs/tutorials/index.md b/docs/docs/tutorials/index.md
new file mode 100644
index 00000000..ef22e949
--- /dev/null
+++ b/docs/docs/tutorials/index.md
@@ -0,0 +1,98 @@
+---
+icon: material/school
+---
+
+# :material-school: Tutorials
+
+This section presents a collection of **Jupyter Notebook** tutorials
+that demonstrate how to use EasyDiffraction for various tasks. These
+tutorials serve as self-contained, step-by-step **guides** to help users
+grasp the workflow of diffraction data analysis using EasyDiffraction.
+
+Instructions on how to run the tutorials are provided in the
+[:material-cog-box: Installation & Setup](../installation-and-setup/index.md#how-to-run-tutorials)
+section of the documentation.
+
+The tutorials are organized into the following categories.
+
+## Getting Started
+
+- [LBCO `quick` CIF](ed-1.ipynb) – A minimal example intended as a quick
+  reference for users already familiar with the EasyDiffraction API or
+  who want to see how Rietveld refinement of the La0.5Ba0.5CoO3 crystal
+  structure can be performed when both the structure and experiment are
+  loaded from CIF files. Data collected from constant wavelength neutron
+  powder diffraction at HRPT at PSI.
+- [LBCO `quick` `code`](ed-2.ipynb) – A minimal example intended as a
+  quick reference for users already familiar with the EasyDiffraction
+  API or who want to see an example refinement when both the structure
+  and experiment are defined directly in code. This tutorial covers a
+  Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure using
+  constant wavelength neutron powder diffraction data from HRPT at PSI.
+- [LBCO `complete`](ed-3.ipynb) – Demonstrates the use of the
+  EasyDiffraction API in a simplified, user-friendly manner that closely
+  follows the GUI workflow for a Rietveld refinement of the
+  La0.5Ba0.5CoO3 crystal structure using constant wavelength neutron
+  powder diffraction data from HRPT at PSI. This tutorial provides a
+  full explanation of the workflow with detailed comments and
+  descriptions of every step, making it suitable for users who are new
+  to EasyDiffraction or those who prefer a more guided approach.
+
+## Powder Diffraction
+
+- [Co2SiO4 `pd-neut-cwl`](ed-5.ipynb) – Demonstrates a Rietveld
+  refinement of the Co2SiO4 crystal structure using constant wavelength
+  neutron powder diffraction data from D20 at ILL.
+- [HS `pd-neut-cwl`](ed-6.ipynb) – Demonstrates a Rietveld refinement of
+  the HS crystal structure using constant wavelength neutron powder
+  diffraction data from HRPT at PSI.
+- [Si `pd-neut-tof`](ed-7.ipynb) – Demonstrates a Rietveld refinement of
+  the Si crystal structure using time-of-flight neutron powder
+  diffraction data from SEPD at Argonne.
+- [NCAF `pd-neut-tof`](ed-8.ipynb) – Demonstrates a Rietveld refinement
+  of the Na2Ca3Al2F14 crystal structure using two time-of-flight neutron
+  powder diffraction datasets (from two detector banks) of the WISH
+  instrument at ISIS.
+
+## Single Crystal Diffraction
+
+- [Tb2TiO7 `sg-neut-cwl`](ed-14.ipynb) – Demonstrates structure
+  refinement of Tb2TiO7 using constant wavelength neutron single crystal
+  diffraction data from HEiDi at FRM II.
+- [Taurine `sg-neut-tof`](ed-15.ipynb) – Demonstrates structure
+  refinement of Taurine using time-of-flight neutron single crystal
+  diffraction data from SENJU at J-PARC.
+
+## Pair Distribution Function (PDF)
+
+- [Ni `pd-neut-cwl`](ed-10.ipynb) – Demonstrates a PDF analysis of Ni
+  using data collected from a constant wavelength neutron powder
+  diffraction experiment.
+- [Si `pd-neut-tof`](ed-11.ipynb) – Demonstrates a PDF analysis of Si
+  using data collected from a time-of-flight neutron powder diffraction
+  experiment at NOMAD at SNS.
+- [NaCl `pd-xray`](ed-12.ipynb) – Demonstrates a PDF analysis of NaCl
+  using data collected from an X-ray powder diffraction experiment.
+
+## Multi-Structure & Multi-Experiment Refinement
+
+- [PbSO4 NPD+XRD](ed-4.ipynb) – Joint fit of PbSO4 using X-ray and
+  neutron constant wavelength powder diffraction data.
+- [LBCO+Si McStas](ed-9.ipynb) – Multi-phase Rietveld refinement of
+  La0.5Ba0.5CoO3 with Si impurity using time-of-flight neutron data
+  simulated with McStas.
+- [Si Bragg+PDF](ed-16.ipynb) – Joint refinement of Si combining Bragg
+  diffraction (SEPD) and pair distribution function (NOMAD) analysis. A
+  single shared structure is refined simultaneously against both
+  datasets.
+- [Co2SiO4 Temperature scan](ed-17.ipynb) – Sequential Rietveld
+  refinement of Co2SiO4 using constant wavelength neutron powder
+  diffraction data from D20 at ILL across a temperature scan.
+
+## Workshops & Schools
+
+- [DMSC Summer School](ed-13.ipynb) – A workshop tutorial that
+  demonstrates a Rietveld refinement of the La0.5Ba0.5CoO3 crystal
+  structure using time-of-flight neutron powder diffraction data
+  simulated with McStas. This tutorial is designed for the ESS DMSC
+  Summer School.
diff --git a/docs/user-guide/analysis-workflow/analysis.md b/docs/docs/user-guide/analysis-workflow/analysis.md
similarity index 50%
rename from docs/user-guide/analysis-workflow/analysis.md
rename to docs/docs/user-guide/analysis-workflow/analysis.md
index cdb948d2..76aaa699 100644
--- a/docs/user-guide/analysis-workflow/analysis.md
+++ b/docs/docs/user-guide/analysis-workflow/analysis.md
@@ -5,80 +5,86 @@ icon: material/calculator
 # :material-calculator: Analysis
 
 This section provides an overview of **diffraction data analysis** in
-EasyDiffraction, focusing on model-dependent analysis, calculation engines, and
-minimization techniques.
+EasyDiffraction, focusing on model-dependent analysis, calculation
+engines, and minimization techniques.
 
-In EasyDiffraction, we focus on **model-dependent analysis**, where a model is
-constructed based on prior knowledge of the studied system, and its parameters
-are optimized to achieve the best agreement between experimental and calculated
-diffraction data. Model-dependent analysis is widely used in neutron and X-ray
-scattering data.
+In EasyDiffraction, we focus on **model-dependent analysis**, where a
+model is constructed based on prior knowledge of the studied system, and
+its parameters are optimized to achieve the best agreement between
+experimental and calculated diffraction data. Model-dependent analysis
+is widely used in neutron and X-ray scattering data.
 
 ## Calculation
 
-EasyDiffraction relies on third-party crystallographic libraries, referred to as
-**calculation engines** or just **calculators**, to perform the calculations.
+EasyDiffraction relies on third-party crystallographic libraries,
+referred to as **calculation engines** or just **calculators**, to
+perform the calculations.
 
-The calculation engines are used to calculate the diffraction pattern for the
-defined model of the studied sample using the instrumental and other required
-experiment-related parameters, such as the wavelength, resolution, etc.
+The calculation engines are used to calculate the diffraction pattern
+for the defined model of the studied structure using the instrumental
+and other required experiment-related parameters, such as the
+wavelength, resolution, etc.
 
-You do not necessarily need the measured data to perform the calculations, but
-you need a structural model and some details about the type of experiment you
-want to simulate.
+You do not necessarily need the measured data to perform the
+calculations, but you need a structural model and some details about the
+type of experiment you want to simulate.
 
-EasyDiffraction is designed as a flexible and extensible tool that supports
-different **calculation engines** for diffraction pattern calculations.
-Currently, we integrate CrysPy, CrysFML, and PDFfit2 libraries as calculation
-engines.
+EasyDiffraction is designed as a flexible and extensible tool that
+supports different **calculation engines** for diffraction pattern
+calculations. Currently, we integrate CrysPy, CrysFML, and PDFfit2
+libraries as calculation engines.
 
 ### CrysPy Calculator
 
-[CrysPy](https://www.cryspy.fr) is a Python library originally developed for
-analysing polarised neutron diffraction data. It is now evolving into a more
-general purpose library and covers powders and single crystals, nuclear and
-(commensurate) magnetic structures, unpolarised neutron and X-ray diffraction.
+[CrysPy](https://www.cryspy.fr) is a Python library originally developed
+for analysing polarised neutron diffraction data. It is now evolving
+into a more general purpose library and covers powders and single
+crystals, nuclear and (commensurate) magnetic structures, unpolarised
+neutron and X-ray diffraction.
 
 ### CrysFML Calculator
 
-[CrysFML](https://code.ill.fr/scientific-software/CrysFML2008) library is a
-collection of Fortran modules for crystallographic computations. It is used in
-the software package [FullProf](https://www.ill.eu/sites/fullprof/), and we are
-currently working on its integration into EasyDiffraction.
+[CrysFML](https://code.ill.fr/scientific-software/CrysFML2008) library
+is a collection of Fortran modules for crystallographic computations. It
+is used in the software package
+[FullProf](https://www.ill.eu/sites/fullprof/), and we are currently
+working on its integration into EasyDiffraction.
 
 ### PDFfit2 Calculator
 
-[PDFfit2](https://github.com/diffpy/diffpy.pdffit2/) is a Python library for
-calculating the pair distribution function (PDF) from crystallographic models.
+[PDFfit2](https://github.com/diffpy/diffpy.pdffit2/) is a Python library
+for calculating the pair distribution function (PDF) from
+crystallographic models.
 
 ### Set Calculator
 
-To show the supported calculation engines:
+The calculator is automatically selected based on the experiment type
+(e.g., `cryspy` for Bragg diffraction, `pdffit` for total scattering).
+To show the supported calculation engines for a specific experiment:
 
 ```python
-project.analysis.show_supported_calculators()
+project.experiments['hrpt'].show_supported_calculator_types()
 ```
 
 The example of the output is:
 
-Supported calculators
+Supported calculator types
 
-| Calculator | Description                                                 |
-| ---------- | ----------------------------------------------------------- |
-| cryspy     | CrysPy library for crystallographic calculations            |
-| pdffit     | PDFfit2 library for pair distribution function calculations |
+| Calculator | Description                                      |
+| ---------- | ------------------------------------------------ |
+| cryspy     | CrysPy library for crystallographic calculations |
 
-To select the desired calculation engine, e.g., 'cryspy':
+To explicitly select a calculation engine for an experiment:
 
 ```python
-project.analysis.current_calculator = 'cryspy'
+project.experiments['hrpt'].calculator_type = 'cryspy'
 ```
 
 ## Minimization / Optimization
 
-The process of refining model parameters involves iterating through multiple
-steps until the calculated data sufficiently matches the experimental data. This
-process is illustrated in the following diagram:
+The process of refining model parameters involves iterating through
+multiple steps until the calculated data sufficiently matches the
+experimental data. This process is illustrated in the following diagram:
 
 ```mermaid
 flowchart LR
@@ -94,31 +100,34 @@ flowchart LR
     d-- Threshold<br/>reached -->e
 ```
 
-Like the calculation engines, EasyDiffraction is designed to utilize various
-third-party libraries for model refinement and parameter optimization. These
-libraries provide robust curve fitting and uncertainty estimation tools.
+Like the calculation engines, EasyDiffraction is designed to utilize
+various third-party libraries for model refinement and parameter
+optimization. These libraries provide robust curve fitting and
+uncertainty estimation tools.
 
 ### Lmfit Minimizer
 
 Most of the examples in this section will use the
-[lmfit](https://lmfit.github.io/lmfit-py/) package, which provides a high-level
-interface to non-linear optimisation and curve fitting problems for Python. It
-is one of the tools that can be used to fit models to the experimental data.
+[lmfit](https://lmfit.github.io/lmfit-py/) package, which provides a
+high-level interface to non-linear optimisation and curve fitting
+problems for Python. It is one of the tools that can be used to fit
+models to the experimental data.
 
 ### Bumps Minimizer
 
 Another package that can be used for the same purpose is
-[bumps](https://bumps.readthedocs.io/en/latest/). In addition to traditional
-optimizers which search for the best minimum they can find in the search space,
-bumps provides Bayesian uncertainty analysis which explores all viable minima
-and finds confidence intervals on the parameters based on uncertainty in the
-measured values.
+[bumps](https://bumps.readthedocs.io/en/latest/). In addition to
+traditional optimizers which search for the best minimum they can find
+in the search space, bumps provides Bayesian uncertainty analysis which
+explores all viable minima and finds confidence intervals on the
+parameters based on uncertainty in the measured values.
 
 ### DFO-LS Minimizer
 
-[DFO-LS](https://github.com/numericalalgorithmsgroup/dfols) (Derivative-Free
-Optimizer for Least-Squares) is a Python library for solving nonlinear
-least-squares minimization, without requiring derivatives of the objective.
+[DFO-LS](https://github.com/numericalalgorithmsgroup/dfols)
+(Derivative-Free Optimizer for Least-Squares) is a Python library for
+solving nonlinear least-squares minimization, without requiring
+derivatives of the objective.
 
 ### Set Minimizer
 
@@ -136,65 +145,57 @@ Supported minimizers
 | --------------------- | ------------------------------------------------------------------------ |
 | lmfit                 | LMFIT library using the default Levenberg-Marquardt least squares method |
 | lmfit (leastsq)       | LMFIT library with Levenberg-Marquardt least squares method              |
-| lmfit (least_squares) | LMFIT library with SciPy’s trust region reflective algorithm             |
+| lmfit (least_squares) | LMFIT library with SciPy's trust region reflective algorithm             |
 | dfols                 | DFO-LS library for derivative-free least-squares optimization            |
 
-To select the desired calculation engine, e.g., 'lmfit (least_squares)':
+To select the desired minimizer, e.g., 'lmfit':
 
 ```python
-project.analysis.current_minimizer = 'lmfit (leastsq)'
+project.analysis.current_minimizer = 'lmfit'
 ```
 
 ### Fit Mode
 
-In EasyDiffraction, you can set the **fit mode** to control how the refinement
-process is performed. The fit mode determines whether the refinement is
-performed independently for each experiment or jointly across all experiments.
+In EasyDiffraction, you can set the **fit mode** to control how the
+refinement process is performed. The fit mode determines whether the
+refinement is performed independently for each experiment or jointly
+across all experiments.
 
-To show the supported fit modes:
+The supported fit modes are:
 
-```python
-project.analysis.show_supported_fit_modes()
-```
-
-An example of supported fit modes is:
-
-Supported fit modes
+| Mode   | Description                                                         |
+| ------ | ------------------------------------------------------------------- |
+| single | Independent fitting of each experiment; no shared parameters        |
+| joint  | Simultaneous fitting of all experiments; some parameters are shared |
 
-| Strategy | Description                                                         |
-| -------- | ------------------------------------------------------------------- |
-| single   | Independent fitting of each experiment; no shared parameters        |
-| joint    | Simultaneous fitting of all experiments; some parameters are shared |
-
-You can set the fit mode using the `set_fit_mode` method of the `analysis`
-object:
+You can set the fit mode on the `analysis` object:
 
 ```python
-project.analysis.fit_mode = 'joint'
+project.analysis.fit_mode.mode = 'joint'
 ```
 
-To check the current fit mode, you can use the `show_current_fit_mode` method:
+To check the current fit mode:
 
 ```python
-project.analysis.show_current_fit_mode()
+print(project.analysis.fit_mode.mode.value)
 ```
 
 ### Perform Fit
 
-Refining the sample model and experiment parameters against measured data is
-usually divided into several steps, where each step involves adding or removing
-parameters to be refined, calculating the model data, and comparing it to the
-experimental data as shown in the diagram above.
+Refining the structure and experiment parameters against measured data
+is usually divided into several steps, where each step involves adding
+or removing parameters to be refined, calculating the model data, and
+comparing it to the experimental data as shown in the diagram above.
 
-To select the parameters to be refined, you can set the attribute `free` of the
-parameters to `True`. This indicates that the parameter is free to be optimized
-during the refinement process.
+To select the parameters to be refined, you can set the attribute `free`
+of the parameters to `True`. This indicates that the parameter is free
+to be optimized during the refinement process.
 
 Here is an example of how to set parameters to be refined:
 
 ```python
-# Set sample model parameters to be refined.
-project.sample_models['lbco'].cell.length_a.free = True
+# Set structure parameters to be refined.
+project.structures['lbco'].cell.length_a.free = True
 
 # Set experiment parameters to be refined.
 project.experiments['hrpt'].linked_phases['lbco'].scale.free = True
@@ -203,15 +204,16 @@ project.experiments['hrpt'].background['10'].y.free = True
 project.experiments['hrpt'].background['165'].y.free = True
 ```
 
-After setting the parameters to be refined, you can perform the fit using the
-`fit` method of the `analysis` object:
+After setting the parameters to be refined, you can perform the fit
+using the `fit` method of the `analysis` object:
 
 ```python
 project.analysis.fit()
 ```
 
-This method will iterate through the defined steps, adjusting the parameters
-until the calculated data sufficiently matches the experimental data.
+This method will iterate through the defined steps, adjusting the
+parameters until the calculated data sufficiently matches the
+experimental data.
 
 An example of the output after performing the fit is:
 
@@ -241,9 +243,9 @@ Fit results
 📈 Fitted parameters:
 ```
 
-Now, you can inspect the fitted parameters to see how they have changed during
-the refinement process, select more parameters to be refined, and perform
-additional fits as needed.
+Now, you can inspect the fitted parameters to see how they have changed
+during the refinement process, select more parameters to be refined, and
+perform additional fits as needed.
 
 To plot the measured vs calculated data after the fit, you can use the
 `plot_meas_vs_calc` method of the `analysis` object:
@@ -254,72 +256,67 @@ project.plot_meas_vs_calc(expt_name='hrpt', show_residual=True)
 
 ## Constraints
 
-In EasyDiffraction, you can define **constraints** on the model parameters to
-ensure that they remain within a specific range or follow a certain relationship
-during the refinement process.
+In EasyDiffraction, you can define **constraints** on the model
+parameters to ensure that they remain within a specific range or follow
+a certain relationship during the refinement process.
 
 ### Setting Aliases
 
-Before setting constraints, you need to set aliases for the parameters you want
-to constrain. This can be done using the `add` method of the `aliases` object.
-Aliases are used to reference parameters in a more readable way, making it
-easier to manage constraints.
+Before setting constraints, you need to set aliases for the parameters
+you want to constrain. This can be done using the `add` method of the
+`aliases` object. Aliases are used to reference parameters in a more
+readable way, making it easier to manage constraints.
 
-An example of setting aliases for parameters in a sample model:
+An example of setting aliases for parameters in a structure:
 
 ```python
 # Set aliases for the atomic displacement parameters
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='biso_La',
-    param_uid=project.sample_models['lbco'].atom_sites['La'].b_iso.uid
+    param_uid=project.structures['lbco'].atom_sites['La'].b_iso.uid,
 )
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='biso_Ba',
-    param_uid=project.sample_models['lbco'].atom_sites['Ba'].b_iso.uid
+    param_uid=project.structures['lbco'].atom_sites['Ba'].b_iso.uid,
 )
 
 # Set aliases for the occupancies of the atom sites
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='occ_La',
-    param_uid=project.sample_models['lbco'].atom_sites['La'].occupancy.uid
+    param_uid=project.structures['lbco'].atom_sites['La'].occupancy.uid,
 )
-project.analysis.aliases.add(
+project.analysis.aliases.create(
     label='occ_Ba',
-    param_uid=project.sample_models['lbco'].atom_sites['Ba'].occupancy.uid
+    param_uid=project.structures['lbco'].atom_sites['Ba'].occupancy.uid,
 )
 ```
 
 ### Setting Constraints
 
-Now that you have set the aliases, you can define constraints using the `add`
-method of the `constraints` object. Constraints are defined by specifying the
-**left-hand side (lhs) alias** and the **right-hand side (rhs) expression**. The
-rhs expression can be a simple alias or a more complex expression involving
-other aliases.
+Now that you have set the aliases, you can define constraints using the
+`create` method of the `constraints` object. Each constraint is a single
+expression string of the form `lhs = rhs`, where the left-hand side is
+an alias and the right-hand side is an expression involving other
+aliases.
 
 An example of setting constraints for the aliases defined above:
 
 ```python
-project.analysis.constraints.add(
-    lhs_alias='biso_Ba',
-    rhs_expr='biso_La'
-)
+project.analysis.constraints.create(expression='biso_Ba = biso_La')
 
-project.analysis.constraints.add(
-    lhs_alias='occ_Ba',
-    rhs_expr='1 - occ_La'
-)
+project.analysis.constraints.create(expression='occ_Ba = 1 - occ_La')
 ```
 
-These constraints ensure that the `biso_Ba` parameter is equal to `biso_La`, and
-the `occ_Ba` parameter is equal to `1 - occ_La`. This means that the occupancy
-of the Ba atom will always be adjusted based on the occupancy of the La atom,
-and the isotropic displacement parameter for Ba will be equal to that of La
-during the refinement process.
+These constraints ensure that the `biso_Ba` parameter is equal to
+`biso_La`, and the `occ_Ba` parameter is equal to `1 - occ_La`. This
+means that the occupancy of the Ba atom will always be adjusted based on
+the occupancy of the La atom, and the isotropic displacement parameter
+for Ba will be equal to that of La during the refinement process.
 
 ### Viewing Constraints
 
-To view the defined constraints, you can use the `show_constraints` method:
+To view the defined constraints, you can use the `show_constraints`
+method:
 
 ```python
 project.analysis.show_constraints()
@@ -329,18 +326,18 @@ The example of the output is:
 
 User defined constraints
 
-| lhs_alias | rhs_expr   | full expression     |
-| --------- | ---------- | ------------------- |
-| biso_Ba   | biso_La    | biso_Ba = biso_La   |
-| occ_Ba    | 1 - occ_La | occ_Ba = 1 - occ_La |
+| expression          |
+| ------------------- |
+| biso_Ba = biso_La   |
+| occ_Ba = 1 - occ_La |
 
 ## Analysis as CIF
 
 To inspect an analysis configuration in CIF format, use:
 
 ```python
-# Show sample model as CIF
-project.sample_models['lbco'].show_as_cif()
+# Show structure as CIF
+project.structures['lbco'].show_as_cif()
 ```
 
 Example output:
@@ -360,17 +357,17 @@ Example output:
 │ occ_Ba   lbco.atom_site.Ba.occupancy           │
 │                                                │
 │ loop_                                          │
-│ _constraint.lhs_alias                          │
-│ _constraint.rhs_expr                           │
-│ biso_Ba  biso_La                               │
-│ occ_Ba   "1 - occ_La"                          │
+│ _constraint.expression                         │
+│ "biso_Ba = biso_La"                            │
+│ "occ_Ba = 1 - occ_La"                         │
 ╘════════════════════════════════════════════════╛
 ```
 
 ## Saving an Analysis
 
-Saving the project, as described in the [Project](project.md) section, will also
-save the analysis settings to the `analysis.cif` inside the project directory.
+Saving the project, as described in the [Project](project.md) section,
+will also save the analysis settings to the `analysis.cif` inside the
+project directory.
 
 <br>
 
diff --git a/docs/user-guide/analysis-workflow/experiment.md b/docs/docs/user-guide/analysis-workflow/experiment.md
similarity index 76%
rename from docs/user-guide/analysis-workflow/experiment.md
rename to docs/docs/user-guide/analysis-workflow/experiment.md
index 3bbc9fdc..c121d6a9 100644
--- a/docs/user-guide/analysis-workflow/experiment.md
+++ b/docs/docs/user-guide/analysis-workflow/experiment.md
@@ -4,10 +4,10 @@ icon: material/microscope
 
 # :material-microscope: Experiment
 
-An **Experiment** in EasyDiffraction includes the measured diffraction data
-along with all relevant parameters that describe the experimental setup and
-associated conditions. This can include information about the instrumental
-resolution, peak shape, background, etc.
+An **Experiment** in EasyDiffraction includes the measured diffraction
+data along with all relevant parameters that describe the experimental
+setup and associated conditions. This can include information about the
+instrumental resolution, peak shape, background, etc.
 
 ## Defining an Experiment
 
@@ -15,23 +15,26 @@ EasyDiffraction allows you to:
 
 - **Load an existing experiment** from a file (**CIF** format). Both the
   metadata and measured data are expected to be in CIF format.
-- **Manually define** a new experiment by specifying its type, other necessary
-  experimental parameters, as well as load measured data. This is useful when
-  you want to create an experiment from scratch or when you have a measured data
-  file in a non-CIF format (e.g., `.xye`, `.xy`).
-
-Below, you will find instructions on how to define and manage experiments in
-EasyDiffraction. It is assumed that you have already created a `project` object,
-as described in the [Project](project.md) section as well as defined its
-`sample_models`, as described in the [Sample Model](model.md) section.
+- **Manually define** a new experiment by specifying its type, other
+  necessary experimental parameters, as well as load measured data. This
+  is useful when you want to create an experiment from scratch or when
+  you have a measured data file in a non-CIF format (e.g., `.xye`,
+  `.xy`).
+
+Below, you will find instructions on how to define and manage
+experiments in EasyDiffraction. It is assumed that you have already
+created a `project` object, as described in the [Project](project.md)
+section as well as defined its `structures`, as described in the
+[Structure](model.md) section.
 
 ### Adding from CIF
 
-This is the most straightforward way to define an experiment in EasyDiffraction.
-If you have a crystallographic information file (CIF) for your experiment, that
-contains both the necessary information (metadata) about the experiment as well
-as the measured data, you can add it to your `project.experiments` collection
-using the `add_from_cif_path` method. In this case, the name of the experiment
+This is the most straightforward way to define an experiment in
+EasyDiffraction. If you have a crystallographic information file (CIF)
+for your experiment, that contains both the necessary information
+(metadata) about the experiment as well as the measured data, you can
+add it to your `project.experiments` collection using the
+`add_from_cif_path` method. In this case, the name of the experiment
 will be taken from CIF.
 
 ```python
@@ -51,9 +54,9 @@ project.experiments.add_from_cif_str(cif_string)
 ```
 
 Accessing the experiment after adding it will also be done through the
-`experiments` object of the `project` instance. The name of the experiment will
-be the same as the data block id in the CIF file. For example, if the CIF file
-contains a data block with the id `hrpt`,
+`experiments` object of the `project` instance. The name of the
+experiment will be the same as the data block id in the CIF file. For
+example, if the CIF file contains a data block with the id `hrpt`,
 
 <!-- prettier-ignore-start -->
 
@@ -77,20 +80,22 @@ project.experiments['hrpt']
 
 ### Defining Manually
 
-If you do not have a CIF file or prefer to define the experiment manually, you
-can use the `add_from_data_path` method of the `experiments` object of the
-`project` instance. In this case, you will need to specify the **name** of the
-experiment, which will be used to reference it later, as well as **data_path**
-to the measured data file (e.g., `.xye`, `.xy`). Supported formats are described
-in the [Measured Data Category](#5-measured-data-category) section.
+If you do not have a CIF file or prefer to define the experiment
+manually, you can use the `add_from_data_path` method of the
+`experiments` object of the `project` instance. In this case, you will
+need to specify the **name** of the experiment, which will be used to
+reference it later, as well as **data_path** to the measured data file
+(e.g., `.xye`, `.xy`). Supported formats are described in the
+[Measured Data Category](#measured-data-category) section.
 
-Optionally, you can also specify the additional parameters that define the
-**type of experiment** you want to create. If you do not specify any of these
-parameters, the default values will be used, which are the first in the list of
-supported options for each parameter:
+Optionally, you can also specify the additional parameters that define
+the **type of experiment** you want to create. If you do not specify any
+of these parameters, the default values will be used, which are the
+first in the list of supported options for each parameter:
 
 - **sample_form**: The form of the sample (powder, single crystal).
-- **beam_mode**: The mode of the beam (constant wavelength, time-of-flight).
+- **beam_mode**: The mode of the beam (constant wavelength,
+  time-of-flight).
 - **radiation_probe**: The type of radiation used (neutron, X-ray).
 - **scattering_type**: The type of scattering (bragg, total).
 
@@ -100,37 +105,43 @@ supported options for each parameter:
     these parameters. If you need to change them, you must create a new experiment
     or redefine the existing one.
 
-Here is an example of how to add an experiment with all relevant components
-explicitly defined:
+Here is an example of how to add an experiment with all relevant
+components explicitly defined:
 
 ```python
 # Add an experiment with default parameters, based on the specified type.
-project.experiments.add_from_data_path(name='hrpt',
-                                       data_path='data/hrpt_lbco.xye',
-                                       sample_form='powder',
-                                       beam_mode='constant wavelength',
-                                       radiation_probe='neutron',
-                                       scattering_type='bragg')
+project.experiments.add_from_data_path(
+    name='hrpt',
+    data_path='data/hrpt_lbco.xye',
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+    scattering_type='bragg',
+)
 ```
 
 To add an experiment of default type, you can simply do:
 
 ```python
 # Add an experiment of default type
-project.experiments.add_from_data_path(name='hrpt',
-                                       data_path='data/hrpt_lbco.xye')
+project.experiments.add_from_data_path(
+    name='hrpt',
+    data_path='data/hrpt_lbco.xye',
+)
 ```
 
-If you do not have measured data for fitting and only want to view the simulated
-pattern, you can define an experiment without measured data using the
-`add_without_data` method:
+If you do not have measured data for fitting and only want to view the
+simulated pattern, you can define an experiment without measured data
+using the `create` method:
 
 ```python
 # Add an experiment without measured data
-project.experiments.add_without_data(name='hrpt',
-                                     sample_form='powder',
-                                     beam_mode='constant wavelength',
-                                     radiation_probe='x-ray')
+project.experiments.create(
+    name='hrpt',
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='x-ray',
+)
 ```
 
 Finally, you can also add an experiment by passing the experiment object
@@ -138,34 +149,39 @@ directly using the `add` method:
 
 ```python
 # Add an experiment by passing the experiment object directly
-from easydiffraction import Experiment
-experiment = Experiment(name='hrpt',
-                        sample_form='powder',
-                        beam_mode='constant wavelength',
-                        radiation_probe='neutron',
-                        scattering_type='bragg')
+from easydiffraction import ExperimentFactory
+
+experiment = ExperimentFactory.create(
+    name='hrpt',
+    data_path='data/hrpt_lbco.xye',
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+    scattering_type='bragg',
+)
 project.experiments.add(experiment)
 ```
 
 ## Modifying Parameters
 
-When an experiment is added, it is created with a set of default parameters that
-you can modify to match your specific experimental setup. All parameters are
-grouped into categories based on their function, making it easier to manage and
-understand the different aspects of the experiment:
-
-1. **Instrument Category**: Defines the instrument configuration, including
-   wavelength, two-theta offset, and resolution parameters.
-2. **Peak Category**: Specifies the peak profile type and its parameters, such
-   as broadening and asymmetry.
-3. **Background Category**: Defines the background type and allows you to add
-   background points.
-4. **Linked Phases Category**: Links the sample model defined in the previous
-   step to the experiment, allowing you to specify the scale factor for the
-   linked phase.
-5. **Measured Data Category**: Contains the measured data. The expected format
-   depends on the experiment type, but generally includes columns for 2θ angle
-   or TOF and intensity.
+When an experiment is added, it is created with a set of default
+parameters that you can modify to match your specific experimental
+setup. All parameters are grouped into categories based on their
+function, making it easier to manage and understand the different
+aspects of the experiment:
+
+1. **Instrument Category**: Defines the instrument configuration,
+   including wavelength, two-theta offset, and resolution parameters.
+2. **Peak Category**: Specifies the peak profile type and its
+   parameters, such as broadening and asymmetry.
+3. **Background Category**: Defines the background type and allows you
+   to add background points.
+4. **Linked Phases Category**: Links the structure defined in the
+   previous step to the experiment, allowing you to specify the scale
+   factor for the linked phase.
+5. **Measured Data Category**: Contains the measured data. The expected
+   format depends on the experiment type, but generally includes columns
+   for 2θ angle or TOF and intensity.
 
 ### 1. Instrument Category { #instrument-category }
 
@@ -179,8 +195,8 @@ project.experiments['hrpt'].instrument.calib_twotheta_offset = 0.6
 
 ```python
 # Add excluded regions to the experiment
-project.experiments['hrpt'].excluded_regions.add(start=0, end=10)
-project.experiments['hrpt'].excluded_regions.add(start=160, end=180)
+project.experiments['hrpt'].excluded_regions.create(start=0, end=10)
+project.experiments['hrpt'].excluded_regions.create(start=160, end=180)
 ```
 
 ### 3. Peak Category { #peak-category }
@@ -204,26 +220,26 @@ project.experiments['hrpt'].peak.broad_lorentz_y = 0.1
 project.experiments['hrpt'].background_type = 'line-segment'
 
 # Add background points
-project.experiments['hrpt'].background.add(x=10, y=170)
-project.experiments['hrpt'].background.add(x=30, y=170)
-project.experiments['hrpt'].background.add(x=50, y=170)
-project.experiments['hrpt'].background.add(x=110, y=170)
-project.experiments['hrpt'].background.add(x=165, y=170)
+project.experiments['hrpt'].background.create(x=10, y=170)
+project.experiments['hrpt'].background.create(x=30, y=170)
+project.experiments['hrpt'].background.create(x=50, y=170)
+project.experiments['hrpt'].background.create(x=110, y=170)
+project.experiments['hrpt'].background.create(x=165, y=170)
 ```
 
 ### 5. Linked Phases Category { #linked-phases-category }
 
 ```python
-# Link the sample model defined in the previous step to the experiment
-project.experiments['hrpt'].linked_phases.add(id='lbco', scale=10.0)
+# Link the structure defined in the previous step to the experiment
+project.experiments['hrpt'].linked_phases.create(id='lbco', scale=10.0)
 ```
 
 ### 6. Measured Data Category { #measured-data-category }
 
-If you do not have a CIF file for your experiment, you can load measured data
-from a file in a supported format. The measured data will be automatically
-converted into CIF format and added to the experiment. The expected format
-depends on the experiment type.
+If you do not have a CIF file for your experiment, you can load measured
+data from a file in a supported format. The measured data will be
+automatically converted into CIF format and added to the experiment. The
+expected format depends on the experiment type.
 
 #### Supported data file formats:
 
@@ -235,8 +251,8 @@ depends on the experiment type.
   - [\_pd_meas.2theta_scan](../parameters/pd_meas.md)
   - [\_pd_meas.intensity_total](../parameters/pd_meas.md)
 
-If no **standard deviations** are provided, they are automatically calculated as
-the **square root** of measured intensities.
+If no **standard deviations** are provided, they are automatically
+calculated as the **square root** of measured intensities.
 
 Optional comments with `#` are possible in data file headers.
 
@@ -592,5 +608,5 @@ loop_
 
 ---
 
-Now that the experiment has been defined, you can proceed to the next step:
-[Analysis](analysis.md).
+Now that the experiment has been defined, you can proceed to the next
+step: [Analysis](analysis.md).
diff --git a/docs/docs/user-guide/analysis-workflow/index.md b/docs/docs/user-guide/analysis-workflow/index.md
new file mode 100644
index 00000000..84598210
--- /dev/null
+++ b/docs/docs/user-guide/analysis-workflow/index.md
@@ -0,0 +1,37 @@
+# Analysis Workflow
+
+To streamline the **data analysis process**, EasyDiffraction follows a
+structured workflow divided into **five key steps**:
+
+```mermaid
+flowchart LR
+    a(Project)
+    b(Model)
+    c(Experiment)
+    d(Analysis)
+    e(Summary)
+    a --> b
+    b --> c
+    c --> d
+    d --> e
+```
+
+- [:material-archive: Project](project.md) – Establish a **project** as
+  a container for structure and experiment parameters, measured and
+  calculated data, analysis settings and results.
+- [:material-puzzle: Structure](model.md) – Load an existing
+  **crystallographic model** in CIF format or define a new one from
+  scratch.
+- [:material-microscope: Experiment](experiment.md) – Import
+  **experimental diffraction data** and configure **instrumental** and
+  other relevant parameters.
+- [:material-calculator: Analysis](analysis.md) – **Calculate the
+  diffraction pattern** and **optimize the structural model** by
+  refining its parameters to match experimental measurements.
+- [:material-clipboard-text: Summary](summary.md) – Generate a
+  **report** summarizing the results of the analysis, including refined
+  parameters.
+
+Each step is described in detail in its respective section, guiding
+users through the **entire diffraction data analysis workflow** in
+EasyDiffraction.
diff --git a/docs/user-guide/analysis-workflow/model.md b/docs/docs/user-guide/analysis-workflow/model.md
similarity index 64%
rename from docs/user-guide/analysis-workflow/model.md
rename to docs/docs/user-guide/analysis-workflow/model.md
index 69dbe765..95e309cd 100644
--- a/docs/user-guide/analysis-workflow/model.md
+++ b/docs/docs/user-guide/analysis-workflow/model.md
@@ -2,39 +2,41 @@
 icon: material/puzzle
 ---
 
-# :material-puzzle: Sample Model
+# :material-puzzle: Structure
 
-The **Sample Model** in EasyDiffraction represents the **crystallographic
-structure** used to calculate the diffraction pattern, which is then fitted to
-the **experimentally measured data** to refine the structural parameters.
+The **Structure** in EasyDiffraction represents the **crystallographic
+structure** used to calculate the diffraction pattern, which is then
+fitted to the **experimentally measured data** to refine the structural
+parameters.
 
 EasyDiffraction allows you to:
 
 - **Load an existing model** from a file (**CIF** format).
-- **Manually define** a new sample model by specifying crystallographic
+- **Manually define** a new structure by specifying crystallographic
   parameters.
 
-Below, you will find instructions on how to define and manage crystallographic
-models in EasyDiffraction. It is assumed that you have already created a
-`project` object, as described in the [Project](project.md) section.
+Below, you will find instructions on how to define and manage
+crystallographic models in EasyDiffraction. It is assumed that you have
+already created a `project` object, as described in the
+[Project](project.md) section.
 
 ## Adding a Model from CIF
 
-This is the most straightforward way to define a sample model in
-EasyDiffraction. If you have a crystallographic information file (CIF) for your
-sample model, you can add it to your project using the `add_phase_from_file`
-method of the `project` instance. In this case, the name of the model will be
-taken from CIF.
+This is the most straightforward way to define a structure in
+EasyDiffraction. If you have a crystallographic information file (CIF)
+for your structure, you can add it to your project using the
+`add_from_cif_path` method of the `project.structures` collection. In
+this case, the name of the model will be taken from CIF.
 
 ```python
 # Load a phase from a CIF file
-project.add_phase_from_file('data/lbco.cif')
+project.structures.add_from_cif_path('data/lbco.cif')
 ```
 
-Accessing the model after loading it will be done through the `sample_models`
-object of the `project` instance. The name of the model will be the same as the
-data block id in the CIF file. For example, if the CIF file contains a data
-block with the id `lbco`,
+Accessing the model after loading it will be done through the
+`structures` collection of the `project` instance. The name of the model
+will be the same as the data block id in the CIF file. For example, if
+the CIF file contains a data block with the id `lbco`,
 
 <!-- prettier-ignore-start -->
 
@@ -52,100 +54,102 @@ data_<span class="red"><b>lbco</b></span>
 you can access it in the code as follows:
 
 ```python
-# Access the sample model by its name
-project.sample_models['lbco']
+# Access the structure by its name
+project.structures['lbco']
 ```
 
 ## Defining a Model Manually
 
-If you do not have a CIF file or prefer to define the model manually, you can
-use the `add` method of the `sample_models` object of the `project` instance. In
-this case, you will need to specify the name of the model, which will be used to
-reference it later.
+If you do not have a CIF file or prefer to define the model manually,
+you can use the `create` method of the `structures` object of the
+`project` instance. In this case, you will need to specify the name of
+the model, which will be used to reference it later.
 
 ```python
-# Add a sample model with default parameters
-# The sample model name is used to reference it later.
-project.sample_models.add(name='nacl')
+# Add a structure with default parameters
+# The structure name is used to reference it later.
+project.structures.create(name='nacl')
 ```
 
-The `add` method creates a new sample model with default parameters. You can
-then modify its parameters to match your specific crystallographic structure.
-All parameters are grouped into the following categories, which makes it easier
-to manage the model:
+The `add` method creates a new structure with default parameters. You
+can then modify its parameters to match your specific crystallographic
+structure. All parameters are grouped into the following categories,
+which makes it easier to manage the model:
 
-1. **Space Group Category**: Defines the symmetry of the crystal structure.
-2. **Cell Category**: Specifies the dimensions and angles of the unit cell.
-3. **Atom Sites Category**: Describes the positions and properties of atoms
-   within the unit cell.
+1. **Space Group Category**: Defines the symmetry of the crystal
+   structure.
+2. **Cell Category**: Specifies the dimensions and angles of the unit
+   cell.
+3. **Atom Sites Category**: Describes the positions and properties of
+   atoms within the unit cell.
 
 ### 1. Space Group Category { #space-group-category }
 
 ```python
 # Set space group
-project.sample_models['nacl'].space_group.name_h_m = 'F m -3 m'
+project.structures['nacl'].space_group.name_h_m = 'F m -3 m'
 ```
 
 ### 2. Cell Category { #cell-category }
 
 ```python
 # Define unit cell parameters
-project.sample_models['nacl'].cell.length_a = 5.691694
+project.structures['nacl'].cell.length_a = 5.691694
 ```
 
 ### 3. Atom Sites Category { #atom-sites-category }
 
 ```python
 # Add atomic sites
-project.sample_models['nacl'].atom_sites.append(
+project.structures['nacl'].atom_sites.create(
     label='Na',
     type_symbol='Na',
     fract_x=0,
     fract_y=0,
     fract_z=0,
     occupancy=1,
-    b_iso_or_equiv=0.5
+    b_iso_or_equiv=0.5,
 )
-project.sample_models['nacl'].atom_sites.append(
+project.structures['nacl'].atom_sites.create(
     label='Cl',
     type_symbol='Cl',
     fract_x=0,
     fract_y=0,
     fract_z=0.5,
     occupancy=1,
-    b_iso_or_equiv=0.5
+    b_iso_or_equiv=0.5,
 )
 ```
 
 ## Listing Defined Models
 
-To check which sample models have been added to the `project`, use:
+To check which structures have been added to the `project`, use:
 
 ```python
-# Show defined sample models
-project.sample_models.show_names()
+# Show defined structures
+project.structures.show_names()
 ```
 
 Expected output:
 
 ```
-Defined sample models 🧩
+Defined structures 🧩
 ['lbco', 'nacl']
 ```
 
 ## Viewing a Model as CIF
 
-To inspect a sample model in CIF format, use:
+To inspect a structure in CIF format, use:
 
 ```python
-# Show sample model as CIF
-project.sample_models['lbco'].show_as_cif()
+# Show structure as CIF
+project.structures['lbco'].show_as_cif()
 ```
 
 Example output:
 
 ```
-Sample model 🧩 'lbco' as cif
+Structure 🧩 'lbco' as cif
 ╒═══════════════════════════════════════════╕
 │ data_lbco                                 │
 │                                           │
@@ -178,10 +182,10 @@ Sample model 🧩 'lbco' as cif
 
 ## Saving a Model
 
-Saving the project, as described in the [Project](project.md) section, will also
-save the model. Each model is saved as a separate CIF file in the
-`sample_models` subdirectory of the project directory. The project file contains
-references to these files.
+Saving the project, as described in the [Project](project.md) section,
+will also save the model. Each model is saved as a separate CIF file in
+the `structures` subdirectory of the project directory. The project file
+contains references to these files.
 
 Below is an example of the saved CIF file for the `lbco` model:
 
@@ -224,5 +228,5 @@ O  O    0   0.5 0.5   c   1    Biso 1.4041
 
 ---
 
-Now that the crystallographic model has been defined and added to the project,
-you can proceed to the next step: [Experiment](experiment.md).
+Now that the crystallographic model has been defined and added to the
+project, you can proceed to the next step: [Experiment](experiment.md).
diff --git a/docs/user-guide/analysis-workflow/project.md b/docs/docs/user-guide/analysis-workflow/project.md
similarity index 78%
rename from docs/user-guide/analysis-workflow/project.md
rename to docs/docs/user-guide/analysis-workflow/project.md
index 6987f10d..60c944b9 100644
--- a/docs/user-guide/analysis-workflow/project.md
+++ b/docs/docs/user-guide/analysis-workflow/project.md
@@ -4,25 +4,26 @@ icon: material/archive
 
 # :material-archive: Project
 
-The **Project** serves as a container for all data and metadata associated with
-a particular data analysis task. It acts as the top-level entity in
-EasyDiffraction, ensuring structured organization and easy access to relevant
-information. Each project can contain multiple **experimental datasets**, with
-each dataset containing contribution from multiple **sample models**.
+The **Project** serves as a container for all data and metadata
+associated with a particular data analysis task. It acts as the
+top-level entity in EasyDiffraction, ensuring structured organization
+and easy access to relevant information. Each project can contain
+multiple **experimental datasets**, with each dataset containing
+contribution from multiple **structures**.
 
 EasyDiffraction allows you to:
 
 - **Manually create** a new project by specifying its metadata.
 - **Load an existing project** from a file (**CIF** format).
 
-Below are instructions on how to set up a project in EasyDiffraction. It is
-assumed that you have already imported the `easydiffraction` package, as
-described in the [First Steps](../first-steps.md) section.
+Below are instructions on how to set up a project in EasyDiffraction. It
+is assumed that you have already imported the `easydiffraction` package,
+as described in the [First Steps](../first-steps.md) section.
 
 ## Creating a Project Manually
 
-You can manually create a new project and specify its short **name**, **title**
-and **description**. All these parameters are optional.
+You can manually create a new project and specify its short **name**,
+**title** and **description**. All these parameters are optional.
 
 ```py
 # Create a new project
@@ -30,10 +31,10 @@ project = ed.Project(name='lbco_hrpt')
 
 # Define project info
 project.info.title = 'La0.5Ba0.5CoO3 from neutron diffraction at HRPT@PSI'
-project.info.description = '''This project demonstrates a standard refinement
+project.info.description = """This project demonstrates a standard refinement
 of La0.5Ba0.5CoO3, which crystallizes in a perovskite-type structure, using
 neutron powder diffraction data collected in constant wavelength mode at the
-HRPT diffractometer (PSI).'''
+HRPT diffractometer (PSI)."""
 ```
 
 ## Saving a Project
@@ -44,10 +45,11 @@ Saving the initial project requires specifying the directory path:
 project.save_as(dir_path='lbco_hrpt')
 ```
 
-If working in the interactive mode in a Jupyter notebook or similar environment,
-you can also save the project after every significant change. This is useful for
-keeping track of changes and ensuring that your work is not lost. If you already
-saved the project with `save_as`, you can just call the `save`:
+If working in the interactive mode in a Jupyter notebook or similar
+environment, you can also save the project after every significant
+change. This is useful for keeping track of changes and ensuring that
+your work is not lost. If you already saved the project with `save_as`,
+you can just call the `save`:
 
 ```python
 project.save()
@@ -55,8 +57,9 @@ project.save()
 
 ## Loading a Project from CIF
 
-If you have an existing project, you can load it directly from a CIF file. This
-is useful for reusing previously defined projects or sharing them with others.
+If you have an existing project, you can load it directly from a CIF
+file. This is useful for reusing previously defined projects or sharing
+them with others.
 
 ```python
 project.load('data/lbco_hrpt.cif')
@@ -73,7 +76,7 @@ The example below illustrates a typical **project structure** for a
 <pre>
 📁 <span class="red"><b>La0.5Ba0.5CoO3</b></span>     - Project directory.
 ├── 📄 <span class="orange"><b>project.cif</b></span>    - Main project description file.
-├── 📁 sample_models  - Folder with sample models (crystallographic structures).
+├── 📁 structures  - Folder with structures (crystallographic structures).
 │   ├── 📄 <span class="orange"><b>lbco.cif</b></span>   - File with La0.5Ba0.5CoO3 structure parameters.
 │   └── ...
 ├── 📁 experiments    - Folder with instrumental parameters and measured data.
@@ -89,20 +92,20 @@ The example below illustrates a typical **project structure** for a
 
 ## Project Files
 
-Below is a complete project example stored in the `La0.5Ba0.5CoO3` directory,
-showing the contents of all files in the project.
+Below is a complete project example stored in the `La0.5Ba0.5CoO3`
+directory, showing the contents of all files in the project.
 
 !!! warning "Important"
 
     If you save the project right after creating it, the project directory will
     only contain the `project.cif` file. The other folders and files will be
-    created as you add sample models, experiments, and set up the analysis. The
+    created as you add structures, experiments, and set up the analysis. The
     summary folder will be created after the analysis is completed.
 
 ### 1. <span class="orange">project.cif</span>
 
-This file provides an overview of the project, including file names of the
-**sample models** and **experiments** associated with the project.
+This file provides an overview of the project, including file names of
+the **structures** and **experiments** associated with the project.
 
 <!-- prettier-ignore-start -->
 
@@ -114,7 +117,7 @@ data_<span class="red"><b>La0.5Ba0.5CoO3</b></span>
 <span class="blue"><b>_project</b>.description</span> "neutrons, powder, constant wavelength, HRPT@PSI"
 
 loop_
-<span class="green"><b>_sample_model</b>.cif_file_name</span>
+<span class="green"><b>_structure</b>.cif_file_name</span>
 lbco.cif
 
 loop_
@@ -125,11 +128,11 @@ hrpt.cif
 
 <!-- prettier-ignore-end -->
 
-### 2. sample_models / <span class="orange">lbco.cif</span>
+### 2. structures / <span class="orange">lbco.cif</span>
 
-This file contains crystallographic information associated with the sample
-model, including **space group**, **unit cell parameters**, and **atomic
-positions**.
+This file contains crystallographic information associated with the
+structure model, including **space group**, **unit cell parameters**,
+and **atomic positions**.
 
 <!-- prettier-ignore-start -->
 
@@ -168,9 +171,9 @@ O  O    0   0.5 0.5   c   1    Biso 1.4041
 
 ### 3. experiments / <span class="orange">hrpt.cif</span>
 
-This file contains the **experiment type**, **instrumental parameters**, **peak
-parameters**, **associated phases**, **background parameters** and **measured
-diffraction data**.
+This file contains the **experiment type**, **instrumental parameters**,
+**peak parameters**, **associated phases**, **background parameters**
+and **measured diffraction data**.
 
 <!-- prettier-ignore-start -->
 
@@ -236,8 +239,8 @@ loop_
 
 ### 4. <span class="orange">analysis.cif</span>
 
-This file contains settings used for data analysis, including the choice of
-**calculation** and **fitting** engines, as well as user defined
+This file contains settings used for data analysis, including the choice
+of **calculation** and **fitting** engines, as well as user defined
 **constraints**.
 
 <!-- prettier-ignore-start -->
@@ -257,10 +260,9 @@ occ_La   lbco.atom_site.La.occupancy
 occ_Ba   lbco.atom_site.Ba.occupancy
 
 loop_
-<span class="green"><b>_constraint</b>.lhs_alias</span>
-<span class="green"><b>_constraint</b>.rhs_expr</span>
-biso_Ba  biso_La
-occ_Ba   "1 - occ_La"
+<span class="green"><b>_constraint</b>.expression</span>
+"biso_Ba = biso_La"
+"occ_Ba = 1 - occ_La"
 </pre>
 </div>
 
@@ -271,4 +273,4 @@ occ_Ba   "1 - occ_La"
 ---
 
 Now that the Project has been defined, you can proceed to the next step:
-[Sample Model](model.md).
+[Structure](model.md).
diff --git a/docs/user-guide/analysis-workflow/summary.md b/docs/docs/user-guide/analysis-workflow/summary.md
similarity index 72%
rename from docs/user-guide/analysis-workflow/summary.md
rename to docs/docs/user-guide/analysis-workflow/summary.md
index 4790f857..34a89b61 100644
--- a/docs/user-guide/analysis-workflow/summary.md
+++ b/docs/docs/user-guide/analysis-workflow/summary.md
@@ -5,20 +5,20 @@ icon: material/clipboard-text
 # :material-clipboard-text: Summary
 
 The **Summary** section represents the final step in the data processing
-workflow. It involves generating a **summary report** that consolidates the
-results of the diffraction data analysis, providing a comprehensive overview of
-the model refinement process and its outcomes.
+workflow. It involves generating a **summary report** that consolidates
+the results of the diffraction data analysis, providing a comprehensive
+overview of the model refinement process and its outcomes.
 
 ## Contents of the Summary Report
 
 The summary report includes key details such as:
 
-- Final refined model parameters – Optimized crystallographic and instrumental
-  parameters.
-- Goodness-of-fit indicators – Metrics such as R-factors, chi-square (χ²), and
-  residuals.
-- Graphical representation – Visualization of experimental vs. calculated
-  diffraction patterns.
+- Final refined model parameters – Optimized crystallographic and
+  instrumental parameters.
+- Goodness-of-fit indicators – Metrics such as R-factors, chi-square
+  (χ²), and residuals.
+- Graphical representation – Visualization of experimental vs.
+  calculated diffraction patterns.
 
 ## Viewing the Summary Report
 
@@ -36,8 +36,9 @@ including model parameters, fit statistics, and data visualizations.
 
 ## Saving a Summary
 
-Saving the project, as described in the [Project](project.md) section, will also
-save the summary report to the `summary.cif` inside the project directory.
+Saving the project, as described in the [Project](project.md) section,
+will also save the summary report to the `summary.cif` inside the
+project directory.
 
 <!--
 ## Exporting the Summary Report
@@ -53,6 +54,7 @@ further analysis and documentation:
 ---
 
 Now that the initial user guide is complete, you can explore the
-[EasyDiffraction API](../../api-reference/index.md) for detailed information on
-the available classes and methods. Additionally, you can find practical examples
-and step-by-step guides in the [Tutorials](../../tutorials/index.md).
+[EasyDiffraction API](../../api-reference/index.md) for detailed
+information on the available classes and methods. Additionally, you can
+find practical examples and step-by-step guides in the
+[Tutorials](../../tutorials/index.md).
diff --git a/docs/user-guide/concept.md b/docs/docs/user-guide/concept.md
similarity index 60%
rename from docs/user-guide/concept.md
rename to docs/docs/user-guide/concept.md
index 2ad7e077..29768eba 100644
--- a/docs/user-guide/concept.md
+++ b/docs/docs/user-guide/concept.md
@@ -1,7 +1,7 @@
 # Concept
 
-Typical data processing in a diffraction experiment consists of three main
-steps:  
+Typical data processing in a diffraction experiment consists of three
+main steps:  
 **data acquisition**, **data reduction**, and **data analysis**.
 
 ```mermaid
@@ -15,13 +15,14 @@ flowchart LR
 
 ## Data Acquisition
 
-Data acquisition involves collecting raw data from the diffractometer (also
-referred to as the instrument) during a neutron or X-ray diffraction experiment.
+Data acquisition involves collecting raw data from the diffractometer
+(also referred to as the instrument) during a neutron or X-ray
+diffraction experiment.
 
-The data is recorded by a detector that measures the intensity of the diffracted
-radiation as a function of angle or time. The radiation is scattered by the
-crystalline specimen (also called the sample), whose structural properties are
-being studied.
+The data is recorded by a detector that measures the intensity of the
+diffracted radiation as a function of angle or time. The radiation is
+scattered by the crystalline specimen (also called the sample), whose
+structural properties are being studied.
 
 <!-- prettier-ignore-start -->
 ![](../assets/images/user-guide/data-acquisition_instrument.png){ width="450", loading=lazy }
@@ -42,10 +43,10 @@ Credits: DOI 10.1126/science.1238932
 
 ## Data Reduction
 
-Data reduction involves processing the raw data to remove background noise,
-correct for instrumental effects, and convert the data into a more usable
-format. The goal is to produce a clean and reliable dataset suitable for
-analysis.
+Data reduction involves processing the raw data to remove background
+noise, correct for instrumental effects, and convert the data into a
+more usable format. The goal is to produce a clean and reliable dataset
+suitable for analysis.
 
 <!-- prettier-ignore-start -->
 ![](../assets/images/user-guide/data-reduction_1d-pattern.png){ width="450", loading=lazy }
@@ -57,28 +58,32 @@ Credits: DOI 10.1126/science.1238932
 
 ## Data Analysis
 
-Data analysis uses the reduced data to extract meaningful information about the
-sample. This may include determining the crystal or magnetic structure,
-identifying phases, performing quantitative analysis, etc.
-
-Analysis often involves comparing experimental data with data calculated from a
-crystallographic model to validate and interpret the results. For powder
-diffraction, techniques such as Rietveld or Le Bail refinement may be used.
-
-In EasyDiffraction, we focus on this **model-dependent analysis**. A model is
-built using prior knowledge of the system, and its parameters are optimized to
-achieve the best agreement between experimental and calculated diffraction data.
-
-By "model", we usually refer to a **crystallographic model** of the sample. This
-includes unit cell parameters, space group, atomic positions, thermal
-parameters, and more. However, the term "model" also encompasses experimental
-aspects such as instrumental resolution, background, peak shape, etc. Therefore,
-EasyDiffraction separates the model into two parts: the **sample model** and the
-**experiment**.
-
-The aim of data analysis is to refine the structural parameters of the sample by
-minimizing the difference (or **residual**) between the experimental and
-calculated data — and this is exactly where EasyDiffraction comes into play.
+Data analysis uses the reduced data to extract meaningful information
+about the crystallographic structure. This may include determining the
+crystal or magnetic structure, identifying phases, performing
+quantitative analysis, etc.
+
+Analysis often involves comparing experimental data with data calculated
+from a crystallographic model to validate and interpret the results. For
+powder diffraction, techniques such as Rietveld or Le Bail refinement
+may be used.
+
+In EasyDiffraction, we focus on this **model-dependent analysis**. A
+model is built using prior knowledge of the system, and its parameters
+are optimized to achieve the best agreement between experimental and
+calculated diffraction data.
+
+By "model", we usually refer to a **crystallographic model** of the
+sample. This includes unit cell parameters, space group, atomic
+positions, thermal parameters, and more. However, the term "model" also
+encompasses experimental aspects such as instrumental resolution,
+background, peak shape, etc. Therefore, EasyDiffraction separates the
+model into two parts: the **structure** and the **experiment**.
+
+The aim of data analysis is to refine the structural parameters of the
+sample by minimizing the difference (or **residual**) between the
+experimental and calculated data — and this is exactly where
+EasyDiffraction comes into play.
 
 <!-- prettier-ignore-start -->
 ![](../assets/images/user-guide/data-analysis_refinement.png){ width="450", loading=lazy }
diff --git a/docs/user-guide/data-format.md b/docs/docs/user-guide/data-format.md
similarity index 75%
rename from docs/user-guide/data-format.md
rename to docs/docs/user-guide/data-format.md
index acbe6bfe..da7c92b1 100644
--- a/docs/user-guide/data-format.md
+++ b/docs/docs/user-guide/data-format.md
@@ -1,46 +1,48 @@
 # Data Format
 
-Before starting the data analysis workflow, it is important to define the **data
-formats** used in EasyDiffraction.
+Before starting the data analysis workflow, it is important to define
+the **data formats** used in EasyDiffraction.
 
 ## Crystallographic Information File
 
-Each software package typically uses its own **data format** and **parameter
-names** for storing and sharing data. In EasyDiffraction, we use the
-**Crystallographic Information File (CIF)** format, which is widely used in
-crystallography and materials science. It provides both a human-readable syntax
-and a set of dictionaries that define the meaning of each parameter.
+Each software package typically uses its own **data format** and
+**parameter names** for storing and sharing data. In EasyDiffraction, we
+use the **Crystallographic Information File (CIF)** format, which is
+widely used in crystallography and materials science. It provides both a
+human-readable syntax and a set of dictionaries that define the meaning
+of each parameter.
 
 These dictionaries are maintained by the
 [International Union of Crystallography (IUCr)](https://www.iucr.org).  
 The base dictionary, **coreCIF**, contains the most common parameters in
-crystallography. The **pdCIF** dictionary covers parameters specific to powder
-diffraction, **magCIF** is used for magnetic structure analysis.
+crystallography. The **pdCIF** dictionary covers parameters specific to
+powder diffraction, **magCIF** is used for magnetic structure analysis.
 
-As most parameters needed for diffraction data analysis are already covered by
-IUCr dictionaries, EasyDiffraction uses the strict **CIF format** and follows
-these dictionaries as closely as possible — for both input and output —
-throughout the workflow described in the
+As most parameters needed for diffraction data analysis are already
+covered by IUCr dictionaries, EasyDiffraction uses the strict **CIF
+format** and follows these dictionaries as closely as possible — for
+both input and output — throughout the workflow described in the
 [Analysis Workflow](analysis-workflow/index.md) section.
 
 The key advantage of CIF is the standardized naming of parameters and
-categories, which promotes interoperability and familiarity among researchers.
+categories, which promotes interoperability and familiarity among
+researchers.
 
 If a required parameter is not defined in the standard dictionaries,
 EasyDiffraction introduces **custom CIF keywords**, documented in the
-[Parameters](parameters.md) section under the **CIF name for serialization**
-columns.
+[Parameters](parameters.md) section under the **CIF name for
+serialization** columns.
 
 ## Format Comparison
 
-Below, we compare **CIF** with another common data format in programming:
-**JSON**.
+Below, we compare **CIF** with another common data format in
+programming: **JSON**.
 
 ### Scientific Journals
 
 Let's assume the following structural data for La₀.₅Ba₀.₅CoO₃ (LBCO), as
-reported in a scientific publication. These parameters are to be refined during
-diffraction data analysis:
+reported in a scientific publication. These parameters are to be refined
+during diffraction data analysis:
 
 Table 1. Crystallographic data. Space group: _Pm3̅m_.
 
@@ -53,8 +55,8 @@ Table 1. Crystallographic data. Space group: _Pm3̅m_.
 | beta      | 90.0   |
 | gamma     | 90.0   |
 
-Table 2. Atomic coordinates (_x_, _y_, _z_), occupancies (occ) and isotropic
-displacement parameters (_Biso_)
+Table 2. Atomic coordinates (_x_, _y_, _z_), occupancies (occ) and
+isotropic displacement parameters (_Biso_)
 
 | Label | Type | x   | y   | z   | occ | Biso   |
 | ----- | ---- | --- | --- | --- | --- | ------ |
@@ -102,17 +104,17 @@ O  O    0   0.5 0.5   c   1    Biso 1.4041
 
 <!-- prettier-ignore-end -->
 
-Here, unit cell parameters are grouped under the `_cell` category, and atomic
-positions under the `_atom_site` category. The `loop_` keyword indicates that
-multiple rows follow for the listed parameters. Each atom is identified using
-`_atom_site.label`.
+Here, unit cell parameters are grouped under the `_cell` category, and
+atomic positions under the `_atom_site` category. The `loop_` keyword
+indicates that multiple rows follow for the listed parameters. Each atom
+is identified using `_atom_site.label`.
 
 ### JSON
 
-Representing the same data in **JSON** results in a format that is more verbose
-and less human-readable, especially for large datasets. JSON is ideal for
-structured data in programming environments, whereas CIF is better suited for
-human-readable crystallographic data.
+Representing the same data in **JSON** results in a format that is more
+verbose and less human-readable, especially for large datasets. JSON is
+ideal for structured data in programming environments, whereas CIF is
+better suited for human-readable crystallographic data.
 
 ```json
 {
@@ -173,11 +175,11 @@ human-readable crystallographic data.
 
 ## Experiment Definition
 
-The previous example described the **sample model** (crystallographic model),
-but how is the **experiment** itself represented?
+The previous example described the **structure** (crystallographic
+model), but how is the **experiment** itself represented?
 
-The experiment is also saved as a CIF file. For example, background intensity in
-a powder diffraction experiment might be represented as:
+The experiment is also saved as a CIF file. For example, background
+intensity in a powder diffraction experiment might be represented as:
 
 <!-- prettier-ignore-start -->
 
@@ -197,16 +199,16 @@ loop_
 
 <!-- prettier-ignore-end -->
 
-More details on how to define the experiment in CIF format are provided in the
-[Experiment](analysis-workflow/experiment.md) section.
+More details on how to define the experiment in CIF format are provided
+in the [Experiment](analysis-workflow/experiment.md) section.
 
 ## Other Input/Output Blocks
 
-EasyDiffraction uses CIF consistently throughout its workflow, including in the
-following blocks:
+EasyDiffraction uses CIF consistently throughout its workflow, including
+in the following blocks:
 
 - **project**: contains the project information
-- **sample model**: defines the sample model
+- **structure**: defines the structure
 - **experiment**: contains the experiment setup and measured data
 - **analysis**: stores fitting and analysis parameters
 - **summary**: captures analysis results
@@ -217,11 +219,13 @@ Example CIF files for each block are provided in the
 
 ## Other Data Formats
 
-While CIF is the primary format in EasyDiffraction, we also support other
-formats for importing measured data. These include plain text files with
-multiple columns. The meaning of the columns depends on the experiment type.
+While CIF is the primary format in EasyDiffraction, we also support
+other formats for importing measured data. These include plain text
+files with multiple columns. The meaning of the columns depends on the
+experiment type.
 
-For example, in a standard constant-wavelength powder diffraction experiment:
+For example, in a standard constant-wavelength powder diffraction
+experiment:
 
 - Column 1: 2θ angle
 - Column 2: intensity
diff --git a/docs/docs/user-guide/first-steps.md b/docs/docs/user-guide/first-steps.md
new file mode 100644
index 00000000..b4366684
--- /dev/null
+++ b/docs/docs/user-guide/first-steps.md
@@ -0,0 +1,190 @@
+# First Steps
+
+This section introduces the basic usage of the EasyDiffraction Python
+API. You'll learn how to import the package, use core classes and
+utility functions, and access built-in helper methods to streamline
+diffraction data analysis workflows.
+
+## Importing EasyDiffraction
+
+### Importing the entire package
+
+To start using EasyDiffraction, first import the package in your Python
+script or Jupyter Notebook. This can be done with the following command:
+
+```python
+import easydiffraction
+```
+
+Alternatively, you can import it with an alias to avoid naming conflicts
+and for convenience:
+
+```python
+import easydiffraction as ed
+```
+
+The latter syntax allows you to access all the modules and classes
+within the package using the `ed` prefix. For example, you can create a
+project instance like this:
+
+```python
+project = ed.Project()
+```
+
+A complete tutorial using the `import` syntax can be found
+[here](../tutorials/ed-3.ipynb).
+
+### Importing specific parts
+
+Alternatively, you can import specific classes or methods from the
+package. For example, you can import the `Project`, `Structure`,
+`Experiment` classes and `download_from_repository` method like this:
+
+```python
+from easydiffraction import Project
+from easydiffraction import Structure
+from easydiffraction import Experiment
+from easydiffraction import download_from_repository
+```
+
+This enables you to use these classes and methods directly without the
+package prefix. This is especially useful when you're using only a few
+components and want to keep your code clean and concise. In this case,
+you can create a project instance like this:
+
+```python
+project = Project()
+```
+
+A complete tutorial using the `from` syntax can be found
+[here](../tutorials/ed-4.ipynb).
+
+## Utility functions
+
+EasyDiffraction also provides several utility functions that can
+simplify your workflow. One of them is the `download_from_repository`
+function, which allows you to download data files from our remote
+repository, making it easy to access and use them while experimenting
+with EasyDiffraction.
+
+For example, you can download a data file like this:
+
+```python
+import easydiffraction as ed
+
+ed.download_from_repository(
+    'hrpt_lbco.xye',
+    branch='docs',
+    destination='data',
+)
+```
+
+This command will download the `hrpt_lbco.xye` file from the `docs`
+branch of the EasyDiffraction repository and save it in the `data`
+directory of your current working directory. This is particularly useful
+for quickly accessing example datasets without having to manually
+download them.
+
+## Help methods
+
+EasyDiffraction provides several helper methods to display supported
+engines for calculation, minimization, and plotting. These methods can
+be called on the `Project` instance to display the available options for
+different categories.
+
+### Supported calculators
+
+The calculator is automatically selected based on the experiment type.
+You can use the `show_supported_calculator_types()` method on an
+experiment to see which calculation engines are compatible:
+
+```python
+project.experiments['hrpt'].show_supported_calculator_types()
+```
+
+This will display a list of supported calculators along with their
+descriptions, allowing you to choose the one that best fits your needs.
+
+An example of the output for a Bragg diffraction experiment:
+
+| Calculator | Description                                      |
+| ---------- | ------------------------------------------------ |
+| cryspy     | CrysPy library for crystallographic calculations |
+
+### Supported minimizers
+
+You can also check the available minimizers using the
+`show_available_minimizers()` method:
+
+```python
+project.show_available_minimizers()
+```
+
+### Available parameters
+
+EasyDiffraction provides several methods for showing the available
+parameters grouped in different categories. For example, you can use:
+
+- `project.analysis.show_all_params()` – to display all available
+  parameters for the analysis step.
+- `project.analysis.show_fittable_params()` – to display only the
+  parameters that can be fitted during the analysis.
+- `project.analysis.show_free_params()` – to display the parameters that
+  are currently free to be adjusted during the fitting process.
+
+Finally, you can use the `project.analysis.how_to_access_parameters()`
+method to get a brief overview of how to access and modify parameters in
+the analysis step, along with their unique identifiers in the CIF
+format. This can be particularly useful for users who are new to the
+EasyDiffraction API or those who want to quickly understand how to work
+with parameters in their projects.
+
+An example of the output for the
+`project.analysis.how_to_access_parameters()` method is:
+
+|     | Code variable                                       | Unique ID for CIF                |
+| --- | --------------------------------------------------- | -------------------------------- |
+| 1   | project.structures['lbco'].atom_site['La'].adp_type | lbco.atom_site.La.ADP_type       |
+| 2   | project.structures['lbco'].atom_site['La'].b_iso    | lbco.atom_site.La.B_iso_or_equiv |
+| 3   | project.structures['lbco'].atom_site['La'].fract_x  | lbco.atom_site.La.fract_x        |
+| 4   | project.structures['lbco'].atom_site['La'].fract_y  | lbco.atom_site.La.fract_y        |
+| ... | ...                                                 | ...                              |
+| 59  | project.experiments['hrpt'].peak.broad_gauss_u      | hrpt.peak.broad_gauss_u          |
+| 60  | project.experiments['hrpt'].peak.broad_gauss_v      | hrpt.peak.broad_gauss_v          |
+| 61  | project.experiments['hrpt'].peak.broad_gauss_w      | hrpt.peak.broad_gauss_w          |
+
+### Supported plotters
+
+To see the available plotters, you can use the
+`show_available_plotters()` method on the `plotter` attribute of the
+`Project` instance:
+
+```python
+project.plotter.show_supported_engines()
+```
+
+An example of the output is:
+
+| Engine       | Description                                |
+| ------------ | ------------------------------------------ |
+| asciichartpy | Console ASCII line charts                  |
+| plotly       | Interactive browser-based graphing library |
+
+## Data analysis workflow
+
+Once the EasyDiffraction package is imported, you can proceed with the
+**data analysis**. This step can be split into several sub-steps, such
+as creating a project, defining structures, adding experimental data,
+etc.
+
+EasyDiffraction provides a **Python API** that allows you to perform
+these steps programmatically in a certain linear order. This is
+especially useful for users who prefer to work in a script or Jupyter
+Notebook environment. The API is designed to be intuitive and easy to
+use, allowing you to focus on the analysis rather than low-level
+implementation details.
+
+Because this workflow is an important part of the EasyDiffraction
+package, it is described in detail in the separate
+[Analysis Workflow](analysis-workflow/index.md) section of the
+documentation.
diff --git a/docs/user-guide/glossary.md b/docs/docs/user-guide/glossary.md
similarity index 80%
rename from docs/user-guide/glossary.md
rename to docs/docs/user-guide/glossary.md
index 827cfdf5..75f0300c 100644
--- a/docs/user-guide/glossary.md
+++ b/docs/docs/user-guide/glossary.md
@@ -1,25 +1,29 @@
 # Glossary
 
-Before guiding you through the use of EasyDiffraction, we define some common
-terms and abbreviations used throughout the documentation and tutorials.
+Before guiding you through the use of EasyDiffraction, we define some
+common terms and abbreviations used throughout the documentation and
+tutorials.
 
 ## Dictionary Type Labels
 
-The following labels are used to identify different types of CIF dictionaries:
+The following labels are used to identify different types of CIF
+dictionaries:
 
 - [coreCIF][1]{:.label-cif} – Core CIF dictionary by the
   [IUCr](https://www.iucr.org).
 - [pdCIF][2]{:.label-cif} – Powder CIF dictionary by the
   [IUCr](https://www.iucr.org).
-- [easydiffractionCIF][0]{:.label-cif} – Custom CIF dictionary developed for
-  EasyDiffraction.
+- [easydiffractionCIF][0]{:.label-cif} – Custom CIF dictionary developed
+  for EasyDiffraction.
 
-For more information about CIF, see the [Data Format](data-format.md) section.
+For more information about CIF, see the [Data Format](data-format.md)
+section.
 
 ## Experiment Type Labels
 
-EasyDiffraction supports a variety of experiment types, each with its own set of
-parameters. The following labels identify the supported experiment types:
+EasyDiffraction supports a variety of experiment types, each with its
+own set of parameters. The following labels identify the supported
+experiment types:
 
 ### Neutron Diffraction
 
@@ -27,8 +31,8 @@ parameters. The following labels identify the supported experiment types:
   constant wavelength.
 - [pd-neut-tof][0]{:.label-experiment} – Powder neutron diffraction with
   time-of-flight.
-- [sc-neut-cwl][0]{:.label-experiment} – Single-crystal neutron diffraction with
-  constant wavelength.
+- [sc-neut-cwl][0]{:.label-experiment} – Single-crystal neutron
+  diffraction with constant wavelength.
 
 ### X-ray Diffraction
 
diff --git a/docs/user-guide/index.md b/docs/docs/user-guide/index.md
similarity index 57%
rename from docs/user-guide/index.md
rename to docs/docs/user-guide/index.md
index a6671f3d..2ddc28b9 100644
--- a/docs/user-guide/index.md
+++ b/docs/docs/user-guide/index.md
@@ -4,20 +4,21 @@ icon: material/book-open-variant
 
 # :material-book-open-variant: User Guide
 
-This section provides an overview of the **core concepts**, **key parameters**
-and **workflow steps** required for using EasyDiffraction effectively.
+This section provides an overview of the **core concepts**, **key
+parameters** and **workflow steps** required for using EasyDiffraction
+effectively.
 
 Here is a brief overview of the User Guide sections:
 
-- [Glossary](glossary.md) – Defines common terms and labels used throughout the
-  documentation.
-- [Concept](concept.md) – Introduces the overall idea behind diffraction data
-  processing and where EasyDiffraction fits.
-- [Data Format](data-format.md) – Explains the Crystallographic Information File
-  (CIF) and how it's used in EasyDiffraction.
-- [Parameters](parameters.md) – Describes how parameters are structured, named,
-  and accessed within the EasyDiffraction library.
-- [First Steps](first-steps.md) – Shows how to begin using EasyDiffraction in
-  Python or Jupyter notebooks.
+- [Glossary](glossary.md) – Defines common terms and labels used
+  throughout the documentation.
+- [Concept](concept.md) – Introduces the overall idea behind diffraction
+  data processing and where EasyDiffraction fits.
+- [Data Format](data-format.md) – Explains the Crystallographic
+  Information File (CIF) and how it's used in EasyDiffraction.
+- [Parameters](parameters.md) – Describes how parameters are structured,
+  named, and accessed within the EasyDiffraction library.
+- [First Steps](first-steps.md) – Shows how to begin using
+  EasyDiffraction in Python or Jupyter notebooks.
 - [Analysis Workflow](analysis-workflow/index.md) – Breaks down the data
   analysis pipeline into practical, sequential steps.
diff --git a/docs/user-guide/parameters.md b/docs/docs/user-guide/parameters.md
similarity index 89%
rename from docs/user-guide/parameters.md
rename to docs/docs/user-guide/parameters.md
index 0fc1d609..622bf6f1 100644
--- a/docs/user-guide/parameters.md
+++ b/docs/docs/user-guide/parameters.md
@@ -1,82 +1,91 @@
 # Parameters
 
-The data analysis process, introduced in the [Concept](concept.md) section,
-assumes that you mainly work with different parameters. The parameters are used
-to describe the sample model and the experiment and are required to set up the
-analysis.
+The data analysis process, introduced in the [Concept](concept.md)
+section, assumes that you mainly work with different parameters. The
+parameters are used to describe the structure and the experiment and are
+required to set up the analysis.
 
-Each parameter in EasyDiffraction has a specific name used for code reference,
-and it belongs to a specific category.
+Each parameter in EasyDiffraction has a specific name used for code
+reference, and it belongs to a specific category.
 
 - In many cases, the EasyDiffraction name is the same as the CIF name.
-- In some cases, the EasyDiffraction name is a slightly modified version of the
-  CIF name to comply with Python naming conventions. For example, `name_H-M_alt`
-  becomes `name_h_m`, replacing hyphens with underscores and using lowercase
-  letters.
-- In rare cases, the EasyDiffraction name is a bit shorter, like `b_iso` instead
-  of CIF `B_iso_or_equiv`, to make the code a bit more user-friendly.
-- When there is no defined CIF name for a parameter, EasyDiffraction introduces
-  its own name, which is used in the code as well as an equivalent CIF name to
-  be placed in the custom CIF dictionary `easydiffractionCIF`.
-
-EasyDiffraction names are used in code, while CIF names are used to store and
-retrieve the full state of a data analysis project in CIF format. You can find
-more about the project in the [Project](analysis-workflow/project.md) section.
+- In some cases, the EasyDiffraction name is a slightly modified version
+  of the CIF name to comply with Python naming conventions. For example,
+  `name_H-M_alt` becomes `name_h_m`, replacing hyphens with underscores
+  and using lowercase letters.
+- In rare cases, the EasyDiffraction name is a bit shorter, like `b_iso`
+  instead of CIF `B_iso_or_equiv`, to make the code a bit more
+  user-friendly.
+- When there is no defined CIF name for a parameter, EasyDiffraction
+  introduces its own name, which is used in the code as well as an
+  equivalent CIF name to be placed in the custom CIF dictionary
+  `easydiffractionCIF`.
+
+EasyDiffraction names are used in code, while CIF names are used to
+store and retrieve the full state of a data analysis project in CIF
+format. You can find more about the project in the
+[Project](analysis-workflow/project.md) section.
 
 ## Parameter Attributes
 
-Parameters in EasyDiffraction are more than just variables. They are objects
-that, in addition to the name and value, also include attributes such as the
-description, unit, uncertainty, minimum and maximum values, etc. All these
-attributes are described in the [API Reference](../api-reference/index.md)
-section. Examples of how to use these parameters in code are provided in the
+Parameters in EasyDiffraction are more than just variables. They are
+objects that, in addition to the name and value, also include attributes
+such as the description, unit, uncertainty, minimum and maximum values,
+etc. All these attributes are described in the
+[API Reference](../api-reference/index.md) section. Examples of how to
+use these parameters in code are provided in the
 [Analysis Workflow](analysis-workflow/index.md) and
 [Tutorials](../tutorials/index.md) sections.
 
-The most important attribute, besides `name` and `value`, is `free`, which is
-used to define whether the parameter is free or fixed for optimization during
-the fitting process. The `free` attribute is set to `False` by default, which
-means the parameter is fixed. To optimize a parameter, set `free` to `True`.
+The most important attribute, besides `name` and `value`, is `free`,
+which is used to define whether the parameter is free or fixed for
+optimization during the fitting process. The `free` attribute is set to
+`False` by default, which means the parameter is fixed. To optimize a
+parameter, set `free` to `True`.
 
-Although parameters are central, EasyDiffraction hides their creation and
-attribute handling from the user. The user only accesses the required parameters
-through the top-level objects, such as `project`, `sample_models`,
-`experiments`, etc. The parameters are created and initialized automatically
-when a new project is created or an existing one is loaded.
+Although parameters are central, EasyDiffraction hides their creation
+and attribute handling from the user. The user only accesses the
+required parameters through the top-level objects, such as `project`,
+`structures`, `experiments`, etc. The parameters are created and
+initialized automatically when a new project is created or an existing
+one is loaded.
 
 In the following sections, you can see a list of the parameters used in
-EasyDiffraction. Use the tabs to switch between how to access a parameter in
-code and its CIF name for serialization.
+EasyDiffraction. Use the tabs to switch between how to access a
+parameter in code and its CIF name for serialization.
 
 !!! warning "Important"
 
     Remember that parameters are accessed in code through their parent objects,
-    such as `project`, `sample_models`, or `experiments`. For example, if you
-    have a sample model with the ID `nacl`, you can access the space group name
+    such as `project`, `structures`, or `experiments`. For example, if you
+    have a structure with the ID `nacl`, you can access the space group name
     using the following syntax:
 
     ```python
-    project.sample_models['nacl'].space_group.name_h_m
+    project.structures['nacl'].space_group.name_h_m
     ```
 
-In the example above, `space_group` is a sample model category, and `name_h_m`
-is the parameter. For simplicity, only the last part (`category.parameter`) of
-the full access name will be shown in the tables below.
+In the example above, `space_group` is a structure category, and
+`name_h_m` is the parameter. For simplicity, only the last part
+(`category.parameter`) of the full access name will be shown in the
+tables below.
 
-In addition, the CIF names are also provided for each parameter, which are used
-to serialize the parameters in the CIF format.
+In addition, the CIF names are also provided for each parameter, which
+are used to serialize the parameters in the CIF format.
 
-Tags defining the corresponding experiment type are also given before the table.
+Tags defining the corresponding experiment type are also given before
+the table.
 
-## Sample model parameters
+## Structure parameters
 
-Below is a list of parameters used to describe the sample model in
+Below is a list of parameters used to describe the structure in
 EasyDiffraction.
 
 ### Crystall structure parameters
 
-[pd-neut-cwl][3]{:.label-experiment} [pd-neut-tof][3]{:.label-experiment}
-[pd-xray][3]{:.label-experiment} [sc-neut-cwl][3]{:.label-experiment}
+[pd-neut-cwl][3]{:.label-experiment}
+[pd-neut-tof][3]{:.label-experiment} [pd-xray][3]{:.label-experiment}
+[sc-neut-cwl][3]{:.label-experiment}
 
 === "How to access in the code"
 
@@ -131,8 +140,9 @@ EasyDiffraction.
 
 ### Common parameters
 
-[pd-neut-cwl][3]{:.label-experiment} [pd-neut-tof][3]{:.label-experiment}
-[pd-xray][3]{:.label-experiment} [sc-neut-cwl][3]{:.label-experiment}
+[pd-neut-cwl][3]{:.label-experiment}
+[pd-neut-tof][3]{:.label-experiment} [pd-xray][3]{:.label-experiment}
+[sc-neut-cwl][3]{:.label-experiment}
 
 === "How to access in the code"
 
@@ -154,8 +164,8 @@ EasyDiffraction.
 
 ### Standard powder diffraction
 
-[pd-neut-cwl][3]{:.label-experiment} [pd-neut-tof][3]{:.label-experiment}
-[pd-xray][3]{:.label-experiment}
+[pd-neut-cwl][3]{:.label-experiment}
+[pd-neut-tof][3]{:.label-experiment} [pd-xray][3]{:.label-experiment}
 
 === "How to access in the code"
 
@@ -241,7 +251,8 @@ EasyDiffraction.
 
 ### Total scattering
 
-[pd-neut-total][3]{:.label-experiment} [pd-xray-total][3]{:.label-experiment}
+[pd-neut-total][3]{:.label-experiment}
+[pd-xray-total][3]{:.label-experiment}
 
 === "How to access in the code"
 
diff --git a/docs/user-guide/parameters/_diffrn_radiation.md b/docs/docs/user-guide/parameters/_diffrn_radiation.md
similarity index 87%
rename from docs/user-guide/parameters/_diffrn_radiation.md
rename to docs/docs/user-guide/parameters/_diffrn_radiation.md
index e3c0a7e9..6e2f0a06 100644
--- a/docs/user-guide/parameters/_diffrn_radiation.md
+++ b/docs/docs/user-guide/parameters/_diffrn_radiation.md
@@ -4,13 +4,13 @@
 
 Data items in this category describe the radiation used in measuring the
 diffraction intensities. Please see the
-[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd) for
-further details.
+[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
+for further details.
 
 ## [\_diffrn_radiation.probe](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
 
-The nature of the radiation used (i.e. the name of the subatomic particle or the
-region of the electromagnetic spectrum).
+The nature of the radiation used (i.e. the name of the subatomic
+particle or the region of the electromagnetic spectrum).
 
 Supported values: `neutron` and `x-ray`
 
diff --git a/docs/user-guide/parameters/_diffrn_radiation_wavelength.md b/docs/docs/user-guide/parameters/_diffrn_radiation_wavelength.md
similarity index 95%
rename from docs/user-guide/parameters/_diffrn_radiation_wavelength.md
rename to docs/docs/user-guide/parameters/_diffrn_radiation_wavelength.md
index 4d205788..3b750b22 100644
--- a/docs/user-guide/parameters/_diffrn_radiation_wavelength.md
+++ b/docs/docs/user-guide/parameters/_diffrn_radiation_wavelength.md
@@ -4,8 +4,8 @@
 
 Data items in this category describe the wavelength of radiation used in
 diffraction measurements. Please see the
-[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd) for
-further details.
+[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
+for further details.
 
 ## [\_diffrn_radiation_wavelength.wavelength](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
 
diff --git a/docs/user-guide/parameters/_exptl_crystal.md b/docs/docs/user-guide/parameters/_exptl_crystal.md
similarity index 100%
rename from docs/user-guide/parameters/_exptl_crystal.md
rename to docs/docs/user-guide/parameters/_exptl_crystal.md
diff --git a/docs/user-guide/parameters/_extinction.md b/docs/docs/user-guide/parameters/_extinction.md
similarity index 100%
rename from docs/user-guide/parameters/_extinction.md
rename to docs/docs/user-guide/parameters/_extinction.md
diff --git a/docs/user-guide/parameters/_pd_calib.md b/docs/docs/user-guide/parameters/_pd_calib.md
similarity index 94%
rename from docs/user-guide/parameters/_pd_calib.md
rename to docs/docs/user-guide/parameters/_pd_calib.md
index 2b96a4c8..407c5f73 100644
--- a/docs/user-guide/parameters/_pd_calib.md
+++ b/docs/docs/user-guide/parameters/_pd_calib.md
@@ -2,8 +2,8 @@
 
 # \_pd_calib
 
-This section defines the parameters used for the calibration of the instrument,
-similar to this
+This section defines the parameters used for the calibration of the
+instrument, similar to this
 [IUCr section](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd).
 
 ## [\_pd_calib.2theta_offset](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
diff --git a/docs/user-guide/parameters/atom_site.md b/docs/docs/user-guide/parameters/atom_site.md
similarity index 82%
rename from docs/user-guide/parameters/atom_site.md
rename to docs/docs/user-guide/parameters/atom_site.md
index 44325b8a..7acdb650 100644
--- a/docs/user-guide/parameters/atom_site.md
+++ b/docs/docs/user-guide/parameters/atom_site.md
@@ -2,16 +2,16 @@
 
 # \_atom_site
 
-Data items in this category record details about the atom sites in a crystal
-structure, such as the positional coordinates and atomic displacement
-parameters. Please see the
+Data items in this category record details about the atom sites in a
+crystal structure, such as the positional coordinates and atomic
+displacement parameters. Please see the
 [IUCr page](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/CATOM_SITE.html)
 for further details.
 
 ## [\_atom_site.label](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.label.html)
 
-This is a unique identifier for a particular site in the asymmetric unit of the
-crystal unit cell.
+This is a unique identifier for a particular site in the asymmetric unit
+of the crystal unit cell.
 
 ## [\_atom_site.type_symbol](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.type_symbol.html)
 
@@ -19,7 +19,8 @@ A code to identify the atom specie(s) occupying this site.
 
 ## \_atom_site.fract
 
-Atom-site coordinates as fractions of the [\_cell_length](cell.md) values.
+Atom-site coordinates as fractions of the [\_cell_length](cell.md)
+values.
 
 - [\_atom_site.fract_x](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.fract_x.html)
 - [\_atom_site.fract_y](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.fract_y.html)
@@ -31,8 +32,8 @@ The fraction of the atom type present at this site.
 
 ## [\_atom_site.ADP_type](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.adp_type.html)
 
-Code for type of atomic displacement parameters used for the site. Currently
-only `Biso` (isotropic B) is supported.
+Code for type of atomic displacement parameters used for the site.
+Currently only `Biso` (isotropic B) is supported.
 
 ## [\_atom_site.B_iso_or_equiv](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.B_iso_or_equiv.html)
 
@@ -43,17 +44,17 @@ displacement parameter, in angstroms squared.
 
 `optional parameter`
 
-The number of different sites that are generated by the application of the
-space-group symmetry to the coordinates given for this site. It is equal to the
-multiplicity given for this Wyckoff site in International Tables for
-Crystallography Vol. A (2002).
+The number of different sites that are generated by the application of
+the space-group symmetry to the coordinates given for this site. It is
+equal to the multiplicity given for this Wyckoff site in International
+Tables for Crystallography Vol. A (2002).
 
 ## [\_atom_site.Wyckoff_symbol](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Iatom_site.Wyckoff_symbol.html)
 
 `optional parameter`
 
-The Wyckoff symbol (letter) as listed in the space-group tables of International
-Tables for Crystallography Vol. A.
+The Wyckoff symbol (letter) as listed in the space-group tables of
+International Tables for Crystallography Vol. A.
 
 <!-- prettier-ignore-start -->
 [0]: #
diff --git a/docs/user-guide/parameters/background.md b/docs/docs/user-guide/parameters/background.md
similarity index 75%
rename from docs/user-guide/parameters/background.md
rename to docs/docs/user-guide/parameters/background.md
index 89985470..e307c981 100644
--- a/docs/user-guide/parameters/background.md
+++ b/docs/docs/user-guide/parameters/background.md
@@ -2,26 +2,27 @@
 
 # \_pd_background
 
-This category defines various background functions that could be used when
-calculating diffractograms. Please see the
-[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd) for
-further details.
+This category defines various background functions that could be used
+when calculating diffractograms. Please see the
+[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
+for further details.
 
 ## [\_pd_background.line_segment_X](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
 
-List of X-coordinates used to create many straight-line segments representing
-the background in a calculated diffractogram.
+List of X-coordinates used to create many straight-line segments
+representing the background in a calculated diffractogram.
 
 Supported values: `2theta` and `time-of-flight`
 
 ## [\_pd_background.line_segment_intensity](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
 
-List of intensities used to create many straight-line segments representing the
-background in a calculated diffractogram.
+List of intensities used to create many straight-line segments
+representing the background in a calculated diffractogram.
 
 ## [\_pd_background.X_coordinate](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
 
-The type of X-coordinate against which the pd_background values were calculated.
+The type of X-coordinate against which the pd_background values were
+calculated.
 
 <!-- prettier-ignore-start -->
 [0]: #
diff --git a/docs/user-guide/parameters/cell.md b/docs/docs/user-guide/parameters/cell.md
similarity index 95%
rename from docs/user-guide/parameters/cell.md
rename to docs/docs/user-guide/parameters/cell.md
index 5aeb12ae..806df516 100644
--- a/docs/user-guide/parameters/cell.md
+++ b/docs/docs/user-guide/parameters/cell.md
@@ -2,8 +2,8 @@
 
 # \_cell
 
-Data items in this category record details about the crystallographic cell
-parameters and their measurement. Please see the
+Data items in this category record details about the crystallographic
+cell parameters and their measurement. Please see the
 [IUCr page](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/CCELL.html)
 for further details.
 
diff --git a/docs/user-guide/parameters/expt_type.md b/docs/docs/user-guide/parameters/expt_type.md
similarity index 95%
rename from docs/user-guide/parameters/expt_type.md
rename to docs/docs/user-guide/parameters/expt_type.md
index 5aeb12ae..806df516 100644
--- a/docs/user-guide/parameters/expt_type.md
+++ b/docs/docs/user-guide/parameters/expt_type.md
@@ -2,8 +2,8 @@
 
 # \_cell
 
-Data items in this category record details about the crystallographic cell
-parameters and their measurement. Please see the
+Data items in this category record details about the crystallographic
+cell parameters and their measurement. Please see the
 [IUCr page](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/CCELL.html)
 for further details.
 
diff --git a/docs/user-guide/parameters/instrument.md b/docs/docs/user-guide/parameters/instrument.md
similarity index 73%
rename from docs/user-guide/parameters/instrument.md
rename to docs/docs/user-guide/parameters/instrument.md
index 3975161c..fbeca6c9 100644
--- a/docs/user-guide/parameters/instrument.md
+++ b/docs/docs/user-guide/parameters/instrument.md
@@ -2,21 +2,22 @@
 
 # \_pd_instr
 
-This section contains information relevant to the instrument used for the
-diffraction measurement, similar to this
+This section contains information relevant to the instrument used for
+the diffraction measurement, similar to this
 [IUCr section](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd).
 
 ## [\_pd_instr.resolution](#)
 
-In general, the profile of a Bragg reflection centred at the peak position can
-be approximated by mathematical convolution of contributions from the
-instrument, called the instrumental resolution function, and from the
-microstructure of the sample. Because many contributions to powder diffraction
-peaks have a nearly Gaussian or Lorentzian shape, the pseudo-Voigt function, is
-widely used to describe peak profiles in powder diffraction.
+In general, the profile of a Bragg reflection centred at the peak
+position can be approximated by mathematical convolution of
+contributions from the instrument, called the instrumental resolution
+function, and from the microstructure of the sample. Because many
+contributions to powder diffraction peaks have a nearly Gaussian or
+Lorentzian shape, the pseudo-Voigt function, is widely used to describe
+peak profiles in powder diffraction.
 
-Half-width parameters (normally characterising the instrumental resolution
-function) as implemented in [CrysPy](https://cryspy.fr):
+Half-width parameters (normally characterising the instrumental
+resolution function) as implemented in [CrysPy](https://cryspy.fr):
 
 - \_pd_instr.resolution_u
 - \_pd_instr.resolution_v
@@ -34,7 +35,8 @@ Lorentzian isotropic particle size parameteras implemented in
 
 ## [\_pd_instr.reflex_asymmetry](#)
 
-Peak profile asymmetry parameters as implemented in [CrysPy](https://cryspy.fr).
+Peak profile asymmetry parameters as implemented in
+[CrysPy](https://cryspy.fr).
 
 - \_pd_instr.reflex_asymmetry_p1
 - \_pd_instr.reflex_asymmetry_p2
diff --git a/docs/user-guide/parameters/linked_phases.md b/docs/docs/user-guide/parameters/linked_phases.md
similarity index 86%
rename from docs/user-guide/parameters/linked_phases.md
rename to docs/docs/user-guide/parameters/linked_phases.md
index df3f6d29..1d00f1d2 100644
--- a/docs/user-guide/parameters/linked_phases.md
+++ b/docs/docs/user-guide/parameters/linked_phases.md
@@ -2,10 +2,10 @@
 
 # \_pd_phase_block
 
-A table of phases relevant to the current data block. Each phase is identified
-by its data block identifier. Please see the
-[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd) for
-further details.
+A table of phases relevant to the current data block. Each phase is
+identified by its data block identifier. Please see the
+[IUCr page](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
+for further details.
 
 ## [\_pd_phase_block.id](https://www.iucr.org/resources/cif/dictionaries/browse/cif_pd)
 
diff --git a/docs/user-guide/parameters/pd_meas.md b/docs/docs/user-guide/parameters/pd_meas.md
similarity index 97%
rename from docs/user-guide/parameters/pd_meas.md
rename to docs/docs/user-guide/parameters/pd_meas.md
index b294a96a..fcb4db17 100644
--- a/docs/user-guide/parameters/pd_meas.md
+++ b/docs/docs/user-guide/parameters/pd_meas.md
@@ -7,8 +7,8 @@ This section contains the measured diffractogram, similar to this
 
 ## [\_pd_meas.2theta_scan](https://raw.githubusercontent.com/COMCIFS/Powder_Dictionary/master/cif_pow.dic)
 
-2θ diffraction angle (in degrees) for intensity points measured in a scanning
-method.
+2θ diffraction angle (in degrees) for intensity points measured in a
+scanning method.
 
 ## [\_pd_meas.time-of-flight](https://raw.githubusercontent.com/COMCIFS/Powder_Dictionary/master/cif_pow.dic)
 
diff --git a/docs/user-guide/parameters/peak.md b/docs/docs/user-guide/parameters/peak.md
similarity index 95%
rename from docs/user-guide/parameters/peak.md
rename to docs/docs/user-guide/parameters/peak.md
index 5aeb12ae..806df516 100644
--- a/docs/user-guide/parameters/peak.md
+++ b/docs/docs/user-guide/parameters/peak.md
@@ -2,8 +2,8 @@
 
 # \_cell
 
-Data items in this category record details about the crystallographic cell
-parameters and their measurement. Please see the
+Data items in this category record details about the crystallographic
+cell parameters and their measurement. Please see the
 [IUCr page](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/CCELL.html)
 for further details.
 
diff --git a/docs/user-guide/parameters/space_group.md b/docs/docs/user-guide/parameters/space_group.md
similarity index 87%
rename from docs/user-guide/parameters/space_group.md
rename to docs/docs/user-guide/parameters/space_group.md
index 883be103..ae5bce6b 100644
--- a/docs/user-guide/parameters/space_group.md
+++ b/docs/docs/user-guide/parameters/space_group.md
@@ -2,16 +2,16 @@
 
 # \_space_group
 
-Contains all the data items that refer to the space group as a whole. Please see
-the
+Contains all the data items that refer to the space group as a whole.
+Please see the
 [IUCr page](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/CSPACE_GROUP.html)
 for further details.
 
 ## [\_space_group.name_H-M_alt](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Ispace_group.name_H-M_alt.html)
 
-The international Hermann-Mauguin space-group symbol as defined in International
-Tables for Crystallography Volume A. It allows any Hermann-Mauguin symbol to be
-given.
+The international Hermann-Mauguin space-group symbol as defined in
+International Tables for Crystallography Volume A. It allows any
+Hermann-Mauguin symbol to be given.
 
 ## [\_space_group.IT_coordinate_system_code](https://www.iucr.org/__data/iucr/cifdic_html/3/CORE_DIC/Ispace_group.IT_coordinate_system_code.html)
 
diff --git a/docs/includes/abbreviations.md b/docs/includes/abbreviations.md
new file mode 100644
index 00000000..682f16ff
--- /dev/null
+++ b/docs/includes/abbreviations.md
@@ -0,0 +1,15 @@
+<!-- prettier-ignore-start -->
+
+*[CIF]: Crystallographic Information File.
+*[curl]: Command-line tool for transferring data with URLs.
+*[GitHub]: A web-based platform for version control and collaboration.
+*[Google Colab]: Cloud service that allows you to run Jupyter Notebooks in the cloud.
+*[IUCr]: International Union of Crystallography.
+*[Jupyter Notebook]: An open-source web application that allows you to create and share documents that contain live code, equations, visualizations, and narrative text.
+*[JupyterLab]: Web-based interactive development environment for notebooks, code, and data.
+*[pip]: Package installer for Python.
+*[PyPI]: The Python Package Index is a repository of software for the Python programming language.
+*[Conda]: Conda is a cross-platform, language-agnostic binary package manager.
+*[Pixi]: A modern package manager for Windows, macOS, and Linux.
+
+<!-- prettier-ignore-end -->
diff --git a/docs/mkdocs.yml b/docs/mkdocs.yml
index 6641a35b..c272bdec 100644
--- a/docs/mkdocs.yml
+++ b/docs/mkdocs.yml
@@ -1,45 +1,167 @@
-###########################
-# Override default settings
-###########################
-
 # Project information
-site_name: '' #EasyDiffraction Library
-site_url: https://easyscience.github.io/diffraction-lib/ #https://docs.easydiffraction.org/lib/
+site_name: EasyDiffraction Library
+site_url: https://easyscience.github.io/diffraction-lib
 
 # Repository
-repo_url: https://github.com/easyscience/diffraction-lib/
+repo_url: https://github.com/easyscience/diffraction-lib
 edit_uri: edit/develop/docs/
 
 # Copyright
-copyright: © 2025 EasyDiffraction
+copyright: © 2021-2026 EasyDiffraction
+
+# Sets the theme and theme-specific configuration
+theme:
+  name: material
+  custom_dir: overrides
+  features:
+    #- content.action.edit # Temporary disable edit button (until decided on which branch to use and where to host the notebooks)
+    #- content.action.view
+    - content.code.annotate
+    - content.code.copy # Auto generated button to copy a code block's content
+    - content.tooltips
+    - navigation.footer
+    - navigation.indexes
+    #- navigation.instant # Instant loading, but it causes issues with rendering equations
+    #- navigation.sections
+    - navigation.top # Back-to-top button
+    - navigation.tracking # Anchor tracking
+    - search.highlight
+    - search.share
+    - search.suggest
+    - toc.follow
+  palette:
+    # Palette toggle for light mode
+    - media: '(prefers-color-scheme: light)'
+      scheme: default
+      primary: custom
+      toggle:
+        icon: fontawesome/solid/sun
+        name: Switch to dark mode
+    # Palette toggle for dark mode
+    - media: '(prefers-color-scheme: dark)'
+      scheme: slate
+      primary: custom
+      toggle:
+        icon: fontawesome/solid/moon
+        name: Switch to light mode
+  font:
+    text: Mulish
+    code: Roboto Mono
+  icon:
+    edit: material/file-edit-outline
+  favicon: assets/images/favicon.png
+  logo_dark_mode: assets/images/logo_dark.svg
+  logo_light_mode: assets/images/logo_light.svg
 
-# Extra icons in the bottom right corner
+# A set of key-value pairs, where the values can be any valid YAML
+# construct, that will be passed to the template
 extra:
-  social:
+  generator: false # Disable `Made with Material for MkDocs` (bottom left)
+  social: # Extra icons in the bottom right corner
+    - icon: easyscience # File: overrides/.icons/easyscience.svg
+      link: https://easyscience.org
+      name: EasyScience Framework Webpage
     - icon: easydiffraction # File: overrides/.icons/easydiffraction.svg
-      link: https://easydiffraction.org
+      link: https://easyscience.github.io/diffraction
       name: EasyDiffraction Main Webpage
     - icon: app # File: overrides/.icons/app.svg
-      link: https://docs.easydiffraction.org/app/
+      link: https://easyscience.github.io/diffraction-app
       name: EasyDiffraction Application Docs
     - icon: fontawesome/brands/github # Name as in Font Awesome
       link: https://github.com/easyscience/diffraction-lib
       name: EasyDiffraction Library Source Code on GitHub
+  # Set custom variables to be used in Markdown and HTML files
+  vars:
+    ci_branch: !ENV CI_BRANCH
+    github_repository: !ENV GITHUB_REPOSITORY
+    release_version: !ENV RELEASE_VERSION
+    docs_version: !ENV DOCS_VERSION
+    notebooks_dir: !ENV NOTEBOOKS_DIR
+  # Renders a version selector in the header
+  version:
+    provider: mike
+
+# Customization to be included by the theme
+extra_css:
+  - assets/stylesheets/extra.css
 
-# Jupyter notebooks
+extra_javascript:
+  - assets/javascripts/extra.js
+  # MathJax for rendering mathematical expressions
+  - assets/javascripts/mathjax.js # Custom MathJax config to ensure compatibility with mkdocs-jupyter
+  - https://unpkg.com/mathjax@3/es5/tex-mml-chtml.js # Official MathJax CDN
+
+# A list of extensions beyond the ones that MkDocs uses by default (meta, toc, tables, and fenced_code)
+markdown_extensions:
+  - abbr
+  - admonition
+  - attr_list
+  - def_list
+  - footnotes
+  - pymdownx.arithmatex: # rendering of equations and integrates with MathJax or KaTeX
+      generic: true
+  - pymdownx.blocks.caption
+  - pymdownx.details
+  - pymdownx.emoji:
+      emoji_index: !!python/name:material.extensions.emoji.twemoji
+      emoji_generator: !!python/name:material.extensions.emoji.to_svg
+      options:
+        custom_icons:
+          - docs/overrides/.icons
+  - pymdownx.highlight: # whether highlighting should be carried out during build time by Pygments
+      use_pygments: true
+      pygments_lang_class: true
+  - pymdownx.snippets:
+      auto_append:
+        - docs/includes/abbreviations.md
+  - pymdownx.superfences: # whether highlighting should be carried out during build time by Pygments
+      custom_fences:
+        - name: mermaid
+          class: mermaid
+          format: !!python/name:pymdownx.superfences.fence_code_format
+  - pymdownx.tabbed: # enables content tabs
+      alternate_style: true
+  - pymdownx.tasklist:
+      custom_checkbox: true
+  - toc:
+      toc_depth: 3
+
+# A list of plugins (with optional configuration settings) to use when building the site
 plugins:
+  - autorefs
+  - inline-svg
+  - markdownextradata # Plugin that injects the mkdocs.yml extra variables into the Markdown template
+  - mike # Plugin that makes it easy to deploy multiple versions of the docs
   - mkdocs-jupyter:
-      execute_ignore:
-        - '*.ipynb' # Do not execute any notebooks
-#        - 'quick*.ipynb'
-#        - 'basic*.ipynb'
-#        - 'advanced*.ipynb'
-#        - 'cryst*.ipynb'
-#        - 'pdf*.ipynb'
+      include: ['*.ipynb'] # Default: ['*.py', '*.ipynb']
+      execute: false # Do not execute notebooks during build. They are expected to be pre-executed.
+      allow_errors: false
+      include_source: true
+      include_requirejs: true # Required for Plotly
+      #custom_mathjax_url: 'https://unpkg.com/mathjax@3/es5/tex-mml-chtml.js' # See 'extra_javascript' above
+      ignore_h1_titles: true # Use titles defined in the nav section below
+      remove_tag_config:
+        remove_input_tags:
+          - hide-in-docs
+  - mkdocstrings:
+      handlers:
+        python:
+          paths: ['src'] # Change 'src' to your actual sources directory
+          options:
+            docstring_style: numpy
+            group_by_category: false
+            heading_level: 1
+            show_root_heading: true
+            show_root_full_path: false
+            show_submodules: true
+            show_source: true
+  - search
 
-##################
-# Add new settings
-##################
+# Determines additional directories to watch when running mkdocs serve
+watch:
+  - includes
+  - overrides
+  - ../src
 
 # Exclude files and folders from the global navigation
 not_in_nav: |
@@ -62,7 +184,7 @@ nav:
       - Analysis Workflow:
           - Analysis Workflow: user-guide/analysis-workflow/index.md
           - Project: user-guide/analysis-workflow/project.md
-          - Sample Model: user-guide/analysis-workflow/model.md
+          - Structure: user-guide/analysis-workflow/model.md
           - Experiment: user-guide/analysis-workflow/experiment.md
           - Analysis: user-guide/analysis-workflow/analysis.md
           - Summary: user-guide/analysis-workflow/summary.md
@@ -71,29 +193,37 @@ nav:
       - Getting Started:
           - LBCO quick CIF: tutorials/ed-1.ipynb
           - LBCO quick code: tutorials/ed-2.ipynb
-          - LBCO basic: tutorials/ed-3.ipynb
-          - PbSO4 advanced: tutorials/ed-4.ipynb
-      - Standard Diffraction:
+          - LBCO complete: tutorials/ed-3.ipynb
+      - Powder Diffraction:
           - Co2SiO4 pd-neut-cwl: tutorials/ed-5.ipynb
           - HS pd-neut-cwl: tutorials/ed-6.ipynb
           - Si pd-neut-tof: tutorials/ed-7.ipynb
           - NCAF pd-neut-tof: tutorials/ed-8.ipynb
           - LBCO+Si McStas: tutorials/ed-9.ipynb
+      - Single Crystal Diffraction:
+          - Tb2TiO7 sg-neut-cwl: tutorials/ed-14.ipynb
+          - Taurine sg-neut-tof: tutorials/ed-15.ipynb
       - Pair Distribution Function:
           - Ni pd-neut-cwl: tutorials/ed-10.ipynb
           - Si pd-neut-tof: tutorials/ed-11.ipynb
           - NaCl pd-xray: tutorials/ed-12.ipynb
+      - Multiple Data Blocks:
+          - PbSO4 NPD+XRD: tutorials/ed-4.ipynb
+          - LBCO+Si McStas: tutorials/ed-9.ipynb
+          - Si Bragg+PDF: tutorials/ed-16.ipynb
+          - Co2SiO4 T-scan: tutorials/ed-17.ipynb
       - Workshops & Schools:
-          - 2025 DMSC: tutorials/ed-13.ipynb
+          - DMSC Summer School: tutorials/ed-13.ipynb
   - API Reference:
       - API Reference: api-reference/index.md
       - analysis: api-reference/analysis.md
       - core: api-reference/core.md
       - crystallography: api-reference/crystallography.md
+      - datablocks:
+          - experiment: api-reference/datablocks/experiment.md
+          - structure: api-reference/datablocks/structure.md
       - display: api-reference/display.md
-      - experiments: api-reference/experiments.md
       - io: api-reference/io.md
       - project: api-reference/project.md
-      - sample_models: api-reference/sample_models.md
       - summary: api-reference/summary.md
       - utils: api-reference/utils.md
diff --git a/docs/overrides/.icons/app.svg b/docs/overrides/.icons/app.svg
new file mode 100644
index 00000000..b4fdd4f3
--- /dev/null
+++ b/docs/overrides/.icons/app.svg
@@ -0,0 +1,4 @@
+<?xml version="1.0" encoding="utf-8"?>
+<svg xmlns="http://www.w3.org/2000/svg" height="24px" viewBox="0 0 800 800" width="24px" fill="#000000">
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+</svg>
\ No newline at end of file
diff --git a/docs/overrides/.icons/easydiffraction.svg b/docs/overrides/.icons/easydiffraction.svg
new file mode 100644
index 00000000..5813e570
--- /dev/null
+++ b/docs/overrides/.icons/easydiffraction.svg
@@ -0,0 +1,3 @@
+<svg viewBox="0 0 660 660" xmlns="http://www.w3.org/2000/svg">
+  <path d="M660 330c0 182.25-147.75 330-330 330S0 512.25 0 330 147.75 0 330 0s330 147.75 330 330zm-329.4-84.48a85 85 0 100 170 85 85 0 000-170zm-39.27-181.1a67.5 67.5 0 100 135 67.5 67.5 0 000-135zm76.44 396.16a67.5 67.5 0 100 135 67.5 67.5 0 000-135zM139.5 211.34a52.5 52.5 0 100 105 52.5 52.5 0 000-105zm342.33-66.49a52.5 52.5 0 100 105 52.5 52.5 0 000-105zm38.67 198.41a52.5 52.5 0 100 105 52.5 52.5 0 000-105zm-342.64 66.55a52.5 52.5 0 100 105 52.5 52.5 0 000-105z"/>
+</svg>
diff --git a/docs/overrides/.icons/easyscience.svg b/docs/overrides/.icons/easyscience.svg
new file mode 100644
index 00000000..fb514912
--- /dev/null
+++ b/docs/overrides/.icons/easyscience.svg
@@ -0,0 +1,20 @@
+<?xml version="1.0" encoding="utf-8"?>
+<svg viewBox="0 0 512 512" xmlns="http://www.w3.org/2000/svg" xmlns:bx="https://boxy-svg.com" width="512px" height="512px">
+  <defs>
+    <bx:grid x="0" y="0" width="190" height="80"/>
+    <bx:export>
+      <bx:file format="png" href="#object-0"/>
+    </bx:export>
+  </defs>
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+    <path style="" d="M 136.368 115.794 C 136.368 115.794 140.443 112.987 142.427 111.511 C 144.345 110.084 148.074 107.093 148.074 107.093 C 148.074 107.093 150.464 109.928 151.571 111.414 C 152.785 113.043 153.99 114.688 155.016 116.441 C 156.21 118.481 157.365 120.572 158.155 122.8 C 158.713 124.372 159.222 126.012 159.262 127.68 C 159.288 128.749 159.266 129.929 158.705 130.839 C 158.037 131.923 156.803 132.598 155.643 133.124 C 153.879 133.923 151.885 134.119 149.96 134.334 C 148.3 134.52 146.618 134.452 144.948 134.4 C 143.432 134.353 141.918 134.23 140.412 134.058 C 138.615 133.852 135.053 133.209 135.053 133.209 C 135.053 133.209 135.677 127.609 135.891 124.801 C 136.12 121.803 136.368 115.794 136.368 115.794 Z"/>
+    <path style="" d="M 81.607 129.305 C 81.607 129.305 86.076 131.836 88.347 133.033 C 91.014 134.438 93.702 135.804 96.431 137.085 C 98.991 138.286 101.589 139.405 104.201 140.489 C 106.643 141.502 109.109 142.456 111.584 143.383 C 113.113 143.956 116.198 145.031 116.198 145.031 C 116.198 145.031 115.106 148.801 114.412 150.635 C 113.697 152.524 112.925 154.4 111.967 156.178 C 111.162 157.671 110.334 159.186 109.206 160.453 C 108.119 161.674 106.973 163.051 105.424 163.574 C 104.368 163.931 103.147 163.78 102.084 163.446 C 100.668 163.001 99.465 162.006 98.338 161.041 C 96.631 159.581 95.221 157.792 93.865 156.001 C 92.457 154.141 91.237 152.14 90.089 150.109 C 88.665 147.589 87.422 144.967 86.243 142.323 C 85.357 140.337 84.555 138.313 83.821 136.266 C 82.999 133.974 81.607 129.305 81.607 129.305 Z"/>
+    <path style="" d="M 61.672 116.49 C 61.672 116.49 62.562 120.815 63.052 122.967 C 63.449 124.711 64.316 128.182 64.316 128.182 C 64.316 128.182 60.156 128.795 58.062 128.959 C 55.771 129.139 53.469 129.234 51.172 129.187 C 49.43 129.151 47.683 129.049 45.959 128.799 C 44.31 128.56 42.648 128.282 41.073 127.737 C 39.934 127.343 38.798 126.862 37.821 126.156 C 37.124 125.652 36.411 125.074 36.02 124.307 C 35.472 123.231 35.342 121.943 35.406 120.737 C 35.48 119.328 36.032 117.972 36.558 116.663 C 37.186 115.1 38.049 113.637 38.931 112.202 C 39.819 110.757 40.818 109.381 41.857 108.041 C 43.07 106.478 45.711 103.527 45.711 103.527 C 45.711 103.527 49.104 106.559 50.851 108.016 C 53.087 109.881 55.385 111.67 57.683 113.458 C 59.001 114.484 61.672 116.49 61.672 116.49 Z"/>
+  </g>
+</svg>
\ No newline at end of file
diff --git a/docs/overrides/.icons/google-colab.svg b/docs/overrides/.icons/google-colab.svg
new file mode 100644
index 00000000..9cd9d1b0
--- /dev/null
+++ b/docs/overrides/.icons/google-colab.svg
@@ -0,0 +1,7 @@
+<svg role="img" viewBox="0 0 24 24" xmlns="http://www.w3.org/2000/svg">
+  <path d="M4.54,9.46,2.19,7.1a6.93,6.93,0,0,0,0,9.79l2.36-2.36A3.59,3.59,0,0,1,4.54,9.46Z" style="" fill="#E8710A"></path>
+  <path d="M2.19,7.1,4.54,9.46a3.59,3.59,0,0,1,5.08,0l1.71-2.93h0l-.1-.08h0A6.93,6.93,0,0,0,2.19,7.1Z" style="" fill="#F9AB00"></path>
+  <path d="M11.34,17.46h0L9.62,14.54a3.59,3.59,0,0,1-5.08,0L2.19,16.9a6.93,6.93,0,0,0,9,.65l.11-.09" style="" fill="#F9AB00"></path>
+  <path d="M12,7.1a6.93,6.93,0,0,0,0,9.79l2.36-2.36a3.59,3.59,0,1,1,5.08-5.08L21.81,7.1A6.93,6.93,0,0,0,12,7.1Z" style="" fill="#F9AB00"></path>
+  <path d="M21.81,7.1,19.46,9.46a3.59,3.59,0,0,1-5.08,5.08L12,16.9A6.93,6.93,0,0,0,21.81,7.1Z" style="" fill="#E8710A"></path>
+</svg>
diff --git a/docs/overrides/main.html b/docs/overrides/main.html
new file mode 100644
index 00000000..2e146827
--- /dev/null
+++ b/docs/overrides/main.html
@@ -0,0 +1,39 @@
+{% extends "base.html" %}
+
+{% block content %}
+
+{% if page.nb_url %}
+  {# Parse notebook path/URL #}
+  {% set parts = page.nb_url.split('/') %}
+  {% set tutorial_name = parts[-2] %}
+  {% set filename = parts[-1] %}
+
+  {# Colab url #}
+  {% set base_colab_url = "https://colab.research.google.com/github/" %}
+  {% set colab_url =
+    base_colab_url ~ config.extra.vars.github_repository ~
+    "/blob/gh-pages/" ~ config.extra.vars.docs_version ~
+    "/tutorials/" ~ tutorial_name ~ "/" ~ filename
+  %}
+
+  {# Download link: relative to the current page #}
+  {% set file_url = filename %}
+
+  {# Open in Colab (absolute GitHub URL; works anywhere) #}
+  <a href="{{ colab_url }}"
+     title="Open in Google Colab"
+     class="md-content__button md-icon">
+    {% include ".icons/google-colab.svg" %}
+  </a>
+
+  {# Download: use a RELATIVE link to the file next to this page #}
+  <a href="{{ file_url }}"
+     download="{{ file_url }}"
+     title="Download Notebook"
+     class="md-content__button md-icon">
+    {% include ".icons/material/download.svg" %}
+  </a>
+{% endif %}
+
+{{ super() }}
+{% endblock content %}
diff --git a/docs/overrides/partials/logo.html b/docs/overrides/partials/logo.html
new file mode 100644
index 00000000..78fa69ca
--- /dev/null
+++ b/docs/overrides/partials/logo.html
@@ -0,0 +1,15 @@
+{% if ( config.theme.logo_light_mode and config.theme.logo_dark_mode ) %}
+<img
+  id="logo_light_mode"
+  src="{{ config.theme.logo_light_mode | url }}"
+  alt="logo"
+/>
+<img
+  id="logo_dark_mode"
+  src="{{ config.theme.logo_dark_mode | url }}"
+  alt="logo"
+/>
+{% elif config.theme.logo %}
+<img src="{{ config.theme.logo | url }}" alt="logo" />
+{% else %} {% set icon = config.theme.icon.logo or "material/library" %} {%
+include ".icons/" ~ icon ~ ".svg" %} {% endif %}
diff --git a/docs/tutorials/index.md b/docs/tutorials/index.md
deleted file mode 100644
index 55f406a4..00000000
--- a/docs/tutorials/index.md
+++ /dev/null
@@ -1,79 +0,0 @@
----
-icon: material/school
----
-
-# :material-school: Tutorials
-
-This section presents a collection of **Jupyter Notebook** tutorials that
-demonstrate how to use EasyDiffraction for various tasks. These tutorials serve
-as self-contained, step-by-step **guides** to help users grasp the workflow of
-diffraction data analysis using EasyDiffraction.
-
-Instructions on how to run the tutorials are provided in the
-[:material-cog-box: Installation & Setup](../installation-and-setup/index.md#how-to-run-tutorials)
-section of the documentation.
-
-The tutorials are organized into the following categories.
-
-## Getting Started
-
-- [LBCO `quick` CIF](ed-1.ipynb) – A minimal example intended as a quick
-  reference for users already familiar with the EasyDiffraction API or who want
-  to see how Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure can be
-  performed when both the sample model and experiment are loaded from CIF files.
-  Data collected from constant wavelength neutron powder diffraction at HRPT at
-  PSI.
-- [LBCO `quick` `code`](ed-2.ipynb) – A minimal example intended as a quick
-  reference for users already familiar with the EasyDiffraction API or who want
-  to see an example refinement when both the sample model and experiment are
-  defined directly in code. This tutorial covers a Rietveld refinement of the
-  La0.5Ba0.5CoO3 crystal structure using constant wavelength neutron powder
-  diffraction data from HRPT at PSI.
-- [LBCO `basic`](ed-3.ipynb) – Demonstrates the use of the EasyDiffraction API
-  in a simplified, user-friendly manner that closely follows the GUI workflow
-  for a Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure using
-  constant wavelength neutron powder diffraction data from HRPT at PSI. This
-  tutorial provides a full explanation of the workflow with detailed comments
-  and descriptions of every step, making it suitable for users who are new to
-  EasyDiffraction or those who prefer a more guided approach.
-- [PbSO4 `advanced`](ed-4.ipynb) – Demonstrates a more flexible and advanced
-  approach to using the EasyDiffraction library, intended for users who are more
-  comfortable with Python programming. This tutorial covers a Rietveld
-  refinement of the PbSO4 crystal structure based on the joint fit of both X-ray
-  and neutron diffraction data.
-
-## Standard Diffraction
-
-- [Co2SiO4 `pd-neut-cwl`](ed-5.ipynb) – Demonstrates a Rietveld refinement of
-  the Co2SiO4 crystal structure using constant wavelength neutron powder
-  diffraction data from D20 at ILL.
-- [HS `pd-neut-cwl`](ed-6.ipynb) – Demonstrates a Rietveld refinement of the HS
-  crystal structure using constant wavelength neutron powder diffraction data
-  from HRPT at PSI.
-- [Si `pd-neut-tof`](ed-7.ipynb) – Demonstrates a Rietveld refinement of the Si
-  crystal structure using time-of-flight neutron powder diffraction data from
-  SEPD at Argonne.
-- [NCAF `pd-neut-tof`](ed-8.ipynb) – Demonstrates a Rietveld refinement of the
-  Na2Ca3Al2F14 crystal structure using two time-of-flight neutron powder
-  diffraction datasets (from two detector banks) of the WISH instrument at ISIS.
-- [LBCO+Si McStas](ed-9.ipynb) – Demonstrates a Rietveld refinement of the
-  La0.5Ba0.5CoO3 crystal structure with a small amount of Si impurity as a
-  secondary phase using time-of-flight neutron powder diffraction data simulated
-  with McStas.
-
-## Pair Distribution Function (PDF)
-
-- [Ni `pd-neut-cwl`](ed-10.ipynb) – Demonstrates a PDF analysis of Ni using data
-  collected from a constant wavelength neutron powder diffraction experiment.
-- [Si `pd-neut-tof`](ed-11.ipynb) – Demonstrates a PDF analysis of Si using data
-  collected from a time-of-flight neutron powder diffraction experiment at NOMAD
-  at SNS.
-- [NaCl `pd-xray`](ed-12.ipynb) – Demonstrates a PDF analysis of NaCl using data
-  collected from an X-ray powder diffraction experiment.
-
-## Workshops & Schools
-
-- [2025 DMSC](ed-13.ipynb) – A workshop tutorial that demonstrates a Rietveld
-  refinement of the La0.5Ba0.5CoO3 crystal structure using time-of-flight
-  neutron powder diffraction data simulated with McStas. This tutorial is
-  designed for the ESS DMSC Summer School 2025.
diff --git a/docs/user-guide/analysis-workflow/index.md b/docs/user-guide/analysis-workflow/index.md
deleted file mode 100644
index 1ce3ec66..00000000
--- a/docs/user-guide/analysis-workflow/index.md
+++ /dev/null
@@ -1,34 +0,0 @@
-# Analysis Workflow
-
-To streamline the **data analysis process**, EasyDiffraction follows a
-structured workflow divided into **five key steps**:
-
-```mermaid
-flowchart LR
-    a(Project)
-    b(Model)
-    c(Experiment)
-    d(Analysis)
-    e(Summary)
-    a --> b
-    b --> c
-    c --> d
-    d --> e
-```
-
-- [:material-archive: Project](project.md) – Establish a **project** as a
-  container for sample model and experiment parameters, measured and calculated
-  data, analysis settings and results.
-- [:material-puzzle: Sample Model](model.md) – Load an existing
-  **crystallographic model** in CIF format or define a new one from scratch.
-- [:material-microscope: Experiment](experiment.md) – Import **experimental
-  diffraction data** and configure **instrumental** and other relevant
-  parameters.
-- [:material-calculator: Analysis](analysis.md) – **Calculate the diffraction
-  pattern** and **optimize the structural model** by refining its parameters to
-  match experimental measurements.
-- [:material-clipboard-text: Summary](summary.md) – Generate a **report**
-  summarizing the results of the analysis, including refined parameters.
-
-Each step is described in detail in its respective section, guiding users
-through the **entire diffraction data analysis workflow** in EasyDiffraction.
diff --git a/docs/user-guide/first-steps.md b/docs/user-guide/first-steps.md
deleted file mode 100644
index 0500b189..00000000
--- a/docs/user-guide/first-steps.md
+++ /dev/null
@@ -1,182 +0,0 @@
-# First Steps
-
-This section introduces the basic usage of the EasyDiffraction Python API.
-You'll learn how to import the package, use core classes and utility functions,
-and access built-in helper methods to streamline diffraction data analysis
-workflows.
-
-## Importing EasyDiffraction
-
-### Importing the entire package
-
-To start using EasyDiffraction, first import the package in your Python script
-or Jupyter Notebook. This can be done with the following command:
-
-```python
-import easydiffraction
-```
-
-Alternatively, you can import it with an alias to avoid naming conflicts and for
-convenience:
-
-```python
-import easydiffraction as ed
-```
-
-The latter syntax allows you to access all the modules and classes within the
-package using the `ed` prefix. For example, you can create a project instance
-like this:
-
-```python
-project = ed.Project()
-```
-
-A complete tutorial using the `import` syntax can be found
-[here](../../tutorials/ed-3/).
-
-### Importing specific parts
-
-Alternatively, you can import specific classes or methods from the package. For
-example, you can import the `Project`, `SampleModel`, `Experiment` classes and
-`download_from_repository` method like this:
-
-```python
-from easydiffraction import (
-    Project,
-    SampleModel,
-    Experiment,
-    download_from_repository
-)
-```
-
-This enables you to use these classes and methods directly without the package
-prefix. This is especially useful when you're using only a few components and
-want to keep your code clean and concise. In this case, you can create a project
-instance like this:
-
-```python
-project = Project()
-```
-
-A complete tutorial using the `from` syntax can be found
-[here](../../tutorials/ed-4/).
-
-## Utility functions
-
-EasyDiffraction also provides several utility functions that can simplify your
-workflow. One of them is the `download_from_repository` function, which allows
-you to download data files from our remote repository, making it easy to access
-and use them while experimenting with EasyDiffraction.
-
-For example, you can download a sample data file like this:
-
-```python
-import easydiffraction as ed
-
-ed.download_from_repository('hrpt_lbco.xye',
-                            branch='docs',
-                            destination='data')
-```
-
-This command will download the `hrpt_lbco.xye` file from the `docs` branch of
-the EasyDiffraction repository and save it in the `data` directory of your
-current working directory. This is particularly useful for quickly accessing
-example datasets without having to manually download them.
-
-## Help methods
-
-EasyDiffraction provides several helper methods to display supported engines for
-calculation, minimization, and plotting. These methods can be called on the
-`Project` instance to display the available options for different categories.
-
-### Supported calculators
-
-For example, you can use the `show_supported_calculators()` method to see which
-calculation engines are available for use in your project:
-
-```python
-project.show_supported_calculators()
-```
-
-This will display a list of supported calculators along with their descriptions,
-allowing you to choose the one that best fits your needs.
-
-An example of the output for the `show_supported_calculators()` method is:
-
-| Calculator | Description                                                 |
-| ---------- | ----------------------------------------------------------- |
-| cryspy     | CrysPy library for crystallographic calculations            |
-| pdffit     | PDFfit2 library for pair distribution function calculations |
-
-### Supported minimizers
-
-You can also check the available minimizers using the
-`show_available_minimizers()` method:
-
-```python
-project.show_available_minimizers()
-```
-
-### Available parameters
-
-EasyDiffraction provides several methods for showing the available parameters
-grouped in different categories. For example, you can use:
-
-- `project.analysis.show_all_params()` – to display all available parameters for
-  the analysis step.
-- `project.analysis.show_fittable_params()` – to display only the parameters
-  that can be fitted during the analysis.
-- `project.analysis.show_free_params()` – to display the parameters that are
-  currently free to be adjusted during the fitting process.
-
-Finally, you can use the `project.analysis.how_to_access_parameters()` method to
-get a brief overview of how to access and modify parameters in the analysis
-step, along with their unique identifiers in the CIF format. This can be
-particularly useful for users who are new to the EasyDiffraction API or those
-who want to quickly understand how to work with parameters in their projects.
-
-An example of the output for the `project.analysis.how_to_access_parameters()`
-method is:
-
-|     | Code variable                                          | Unique ID for CIF                |
-| --- | ------------------------------------------------------ | -------------------------------- |
-| 1   | project.sample_models['lbco'].atom_site['La'].adp_type | lbco.atom_site.La.ADP_type       |
-| 2   | project.sample_models['lbco'].atom_site['La'].b_iso    | lbco.atom_site.La.B_iso_or_equiv |
-| 3   | project.sample_models['lbco'].atom_site['La'].fract_x  | lbco.atom_site.La.fract_x        |
-| 4   | project.sample_models['lbco'].atom_site['La'].fract_y  | lbco.atom_site.La.fract_y        |
-| ... | ...                                                    | ...                              |
-| 59  | project.experiments['hrpt'].peak.broad_gauss_u         | hrpt.peak.broad_gauss_u          |
-| 60  | project.experiments['hrpt'].peak.broad_gauss_v         | hrpt.peak.broad_gauss_v          |
-| 61  | project.experiments['hrpt'].peak.broad_gauss_w         | hrpt.peak.broad_gauss_w          |
-
-### Supported plotters
-
-To see the available plotters, you can use the `show_available_plotters()`
-method on the `plotter` attribute of the `Project` instance:
-
-```python
-project.plotter.show_supported_engines()
-```
-
-An example of the output is:
-
-| Engine       | Description                                |
-| ------------ | ------------------------------------------ |
-| asciichartpy | Console ASCII line charts                  |
-| plotly       | Interactive browser-based graphing library |
-
-## Data analysis workflow
-
-Once the EasyDiffraction package is imported, you can proceed with the **data
-analysis**. This step can be split into several sub-steps, such as creating a
-project, defining sample models, adding experimental data, etc.
-
-EasyDiffraction provides a **Python API** that allows you to perform these steps
-programmatically in a certain linear order. This is especially useful for users
-who prefer to work in a script or Jupyter Notebook environment. The API is
-designed to be intuitive and easy to use, allowing you to focus on the analysis
-rather than low-level implementation details.
-
-Because this workflow is an important part of the EasyDiffraction package, it is
-described in detail in the separate
-[Analysis Workflow](analysis-workflow/index.md) section of the documentation.
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+  - expat 2.7.4.*
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-  - libgomp 15.2.0 he0feb66_16
+  - libgcc-ng ==15.2.0=*_18
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-  sha256: 01e73b85a5434f89fc4fe27dcda2aff08ddf35e4d47bbbea3bdcd25321af538a
+  version: 1.23.0
+  sha256: cbb0fef01f0c6b38cb0f39b1f78fc90b807e0e3c86a7ff3ce74ad77ce5c7880c
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/11/c9/cd8538dc2e7727095e0c1d867bad1e40c98f37763e6d995c1939f5fdc7b1/yarl-1.22.0-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/66/fe/b1e10b08d287f518994f1e2ff9b6d26f0adeecd8dd7d533b01bab29a3eda/yarl-1.23.0-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl
   name: yarl
-  version: 1.22.0
-  sha256: bec03d0d388060058f5d291a813f21c011041938a441c593374da6077fe21b1b
+  version: 1.23.0
+  sha256: 34b6cf500e61c90f305094911f9acc9c86da1a05a7a3f5be9f68817043f486e4
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/18/91/3274b215fd8442a03975ce6bee5fe6aa57a8326b29b9d3d56234a1dca244/yarl-1.22.0-cp313-cp313-macosx_11_0_arm64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/67/b6/8925d68af039b835ae876db5838e82e76ec87b9782ecc97e192b809c4831/yarl-1.23.0-cp313-cp313-macosx_10_13_x86_64.whl
   name: yarl
-  version: 1.22.0
-  sha256: 22965c2af250d20c873cdbee8ff958fb809940aeb2e74ba5f20aaf6b7ac8c70c
+  version: 1.23.0
+  sha256: 4a42e651629dafb64fd5b0286a3580613702b5809ad3f24934ea87595804f2c5
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/46/00/71b90ed48e895667ecfb1eaab27c1523ee2fa217433ed77a73b13205ca4b/yarl-1.22.0-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/7a/84/266e8da36879c6edcd37b02b547e2d9ecdfea776be49598e75696e3316e1/yarl-1.23.0-cp313-cp313-win_amd64.whl
   name: yarl
-  version: 1.22.0
-  sha256: 4c52a6e78aef5cf47a98ef8e934755abf53953379b7d53e68b15ff4420e6683d
+  version: 1.23.0
+  sha256: baaf55442359053c7d62f6f8413a62adba3205119bcb6f49594894d8be47e5e3
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/6a/a1/d065d51d02dc02ce81501d476b9ed2229d9a990818332242a882d5d60340/yarl-1.22.0-cp311-cp311-macosx_10_9_x86_64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/93/22/b85eca6fa2ad9491af48c973e4c8cf6b103a73dbb271fe3346949449fca0/yarl-1.23.0-cp311-cp311-win_amd64.whl
   name: yarl
-  version: 1.22.0
-  sha256: 669930400e375570189492dc8d8341301578e8493aec04aebc20d4717f899dd6
+  version: 1.23.0
+  sha256: bf49a3ae946a87083ef3a34c8f677ae4243f5b824bfc4c69672e72b3d6719d46
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/9a/ee/450914ae11b419eadd067c6183ae08381cfdfcb9798b90b2b713bbebddda/yarl-1.22.0-cp313-cp313-win_amd64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/9a/64/c53487d9f4968045b8afa51aed7ca44f58b2589e772f32745f3744476c82/yarl-1.23.0-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl
   name: yarl
-  version: 1.22.0
-  sha256: 47743b82b76d89a1d20b83e60d5c20314cbd5ba2befc9cda8f28300c4a08ed4d
+  version: 1.23.0
+  sha256: 99c8a9ed30f4164bc4c14b37a90208836cbf50d4ce2a57c71d0f52c7fb4f7598
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/b5/f7/149bb6f45f267cb5c074ac40c01c6b3ea6d8a620d34b337f6321928a1b4d/yarl-1.22.0-cp311-cp311-win_amd64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/ae/50/06d511cc4b8e0360d3c94af051a768e84b755c5eb031b12adaaab6dec6e5/yarl-1.23.0-cp313-cp313-macosx_11_0_arm64.whl
   name: yarl
-  version: 1.22.0
-  sha256: 078278b9b0b11568937d9509b589ee83ef98ed6d561dfe2020e24a9fd08eaa2b
+  version: 1.23.0
+  sha256: 7c6b9461a2a8b47c65eef63bb1c76a4f1c119618ffa99ea79bc5bb1e46c5821b
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
-- pypi: https://files.pythonhosted.org/packages/c1/da/8da9f6a53f67b5106ffe902c6fa0164e10398d4e150d85838b82f424072a/yarl-1.22.0-cp311-cp311-macosx_11_0_arm64.whl
+  requires_python: '>=3.10'
+- pypi: https://files.pythonhosted.org/packages/b2/0d/71ceabc14c146ba8ee3804ca7b3d42b1664c8440439de5214d366fec7d3a/yarl-1.23.0-cp311-cp311-macosx_11_0_arm64.whl
   name: yarl
-  version: 1.22.0
-  sha256: 792a2af6d58177ef7c19cbf0097aba92ca1b9cb3ffdd9c7470e156c8f9b5e028
+  version: 1.23.0
+  sha256: dc52310451fc7c629e13c4e061cbe2dd01684d91f2f8ee2821b083c58bd72432
   requires_dist:
   - idna>=2.0
   - multidict>=4.0
   - propcache>=0.2.1
-  requires_python: '>=3.9'
+  requires_python: '>=3.10'
 - pypi: https://files.pythonhosted.org/packages/2e/54/647ade08bf0db230bfea292f893923872fd20be6ac6f53b2b936ba839d75/zipp-3.23.0-py3-none-any.whl
   name: zipp
   version: 3.23.0
diff --git a/pixi.toml b/pixi.toml
index 04f71c03..37952beb 100644
--- a/pixi.toml
+++ b/pixi.toml
@@ -5,7 +5,7 @@
 # Platform-independent
 
 [activation.env]
-PYTHONIOENCODING = "utf-8"
+PYTHONIOENCODING = 'utf-8'
 
 # Platform-specific
 
@@ -27,12 +27,25 @@ PYTHONPATH = "${PIXI_PROJECT_ROOT}/src;%PYTHONPATH%"
 ###########
 
 [workspace]
+
 # Supported platforms for the lock file (pixi.lock)
 platforms = ['win-64', 'linux-64', 'osx-64', 'osx-arm64']
 
 # Channels for fetching packages
 channels = ['conda-forge']
 
+#####################
+# SYSTEM REQUIREMENTS
+#####################
+
+[system-requirements]
+
+# Set minimum supported version for macOS to be 14.0 to ensure packages
+# like `skipp` that only have wheels for macOS 14.0+ (macosx_14_0_arm64)
+# are used instead of building from source. This is a workaround for
+# Pixi, see https://github.com/prefix-dev/pixi/issues/5667
+macos = '14.0'
+
 ##########
 # FEATURES
 ##########
@@ -40,33 +53,20 @@ channels = ['conda-forge']
 # Default feature configuration
 
 [dependencies]
-gsl = '*' # GNU Scientific Library; required for pdffit2.
-
-#[target.win-64.dependencies]
-#libcblas = '*' # CBLAS library for linear algebra; required for pdffit2.
+nodejs = '*' # Required for Prettier (non-Python formatting)
+gsl = '*'    # GNU Scientific Library; required for diffpy.pdffit2
 
 [pypi-dependencies] # == [feature.default.pypi-dependencies]
-pip = '*'                                             # Native package installer
-uv = '*'                                              # Package manager
-jupyterlab = '*'                                      # Jupyter notebooks
-pixi-kernel = '*'                                     # Pixi Jupyter kernel
-easydiffraction = { version = '*', extras = ['all'] } # Main package
+#pip = '*' # Native package installer
+easydiffraction = { path = '.', editable = true, extras = ['dev'] }
 
-# Specific features
+# Specific features: Set specific Python versions
 
-# Each feature sets a specific Python version for the environment.
-
-[feature.py311.dependencies]
+[feature.py-min.dependencies]
 python = '3.11.*'
-
-[feature.py313.dependencies]
+[feature.py-max.dependencies]
 python = '3.13.*'
 
-# This feature installs Node.js for formatting non-Python files with Prettier.
-
-[feature.nodejs.dependencies]
-nodejs = '*'
-
 ##############
 # ENVIRONMENTS
 ##############
@@ -75,13 +75,12 @@ nodejs = '*'
 
 # The `default` feature is always included in all environments.
 # Additional features can be specified per environment.
+py-311-env = { features = ['default', 'py-min'] }
+py-313-env = { features = ['default', 'py-max'] }
 
 # The `default` environment is always created and includes the `default` feature.
 # It does not need to be specified explicitly unless non-default features are included.
-
-default = { features = ['py313', 'nodejs'] }
-py311-dev = { features = ['py311', 'nodejs'] }
-py313-dev = { features = ['py313', 'nodejs'] }
+default = { features = ['default', 'py-max'] }
 
 #######
 # TASKS
@@ -89,59 +88,59 @@ py313-dev = { features = ['py313', 'nodejs'] }
 
 [tasks]
 
-## 🧪 Testing Tasks
+##################
+# 🧪 Testing Tasks
+##################
+
 unit-tests = 'python -m pytest tests/unit/ --color=yes -v'
 integration-tests = 'python -m pytest tests/integration/ --color=yes -n auto -v'
-notebook-tests = 'python -m pytest --nbmake tutorials/ --nbmake-timeout=600 --color=yes -n auto -v'
 script-tests = 'python -m pytest tools/test_scripts.py --color=yes -n auto -v'
-extra = 'python -m pytest tests/unit/extra.py -q --tb=no --disable-warnings --color=yes'
+notebook-tests = 'python -m pytest --nbmake docs/docs/tutorials/ --nbmake-timeout=1200 --color=yes -n auto -v'
 
 test = { depends-on = ['unit-tests'] }
 
-# 🧹 Code Quality
+###########
+# ✔️ Checks
+###########
 
-### ✔️ Checks
 pyproject-check = 'python -m validate_pyproject pyproject.toml'
-py-lint-check-pre = "python -m ruff check"
-py-lint-check = 'pixi run py-lint-check-pre .'
-py-format-check-pre = "python -m ruff format --check"
-py-format-check = "pixi run py-format-check-pre ."
-nonpy-format-check-pre = "npx prettier --list-different --config=prettierrc.toml"
-nonpy-format-check-modified = "pixi run nonpy-format-check-pre $(git diff --diff-filter=d --name-only HEAD | grep -E '\\.(json|ya?ml|toml|md|css|html)$' || echo .)"
-nonpy-format-check = "pixi run nonpy-format-check-pre ."
-notebook-format-check = 'nbqa ruff tutorials/'
-docs-format-check = 'docformatter src/ tutorials/ --check'
-# Run like a real commit: staged files only (almost)
-pre-commit-check = 'pre-commit run --hook-stage pre-commit'
-# CI check: lint/format everything
-pre-commit-check-all = 'pre-commit run --all-files --hook-stage pre-commit'
-# Pre-push check: lint/format everything
-pre-push-check = 'pre-commit run --all-files --hook-stage pre-push'
-
-check = { depends-on = [
-  'docs-format-check',
-  'py-format-check',
-  'py-lint-check',
-  'nonpy-format-check-modified',
-] }
+param-docstring-check = 'python tools/param_consistency.py src/ --check'
+docstring-lint-check = 'pydoclint --quiet src/'
+notebook-lint-check = 'nbqa ruff docs/docs/tutorials/'
+py-lint-check = 'ruff check src/ tests/ docs/docs/tutorials/'
+py-format-check = 'ruff format --check src/ tests/ docs/docs/tutorials/'
+nonpy-format-check = 'npx prettier --list-different --config=prettierrc.toml --ignore-unknown .'
+nonpy-format-check-modified = 'python tools/nonpy_prettier_modified.py'
+
+check = 'pre-commit run --hook-stage manual --all-files'
+
+##########
+# 🛠️ Fixes
+##########
 
-### 🛠️ Fixes
-py-lint-fix = 'pixi run py-lint-check --fix'
-#py-format-fix = "python -m ruff format $(git diff --cached --name-only -- '*.py')"
-py-format-fix = "python -m ruff format"
-nonpy-format-fix = 'pixi run nonpy-format-check --write'
-nonpy-format-fix-modified = "pixi run nonpy-format-check-modified --write"
-notebook-format-fix = 'pixi run notebook-format-check --fix'
-docs-format-fix = 'docformatter src/ tutorials/ --in-place'
+param-docstring-fix = 'python tools/param_consistency.py src/ --fix'
+docstring-format-fix = 'format-docstring src/'
+notebook-lint-fix = 'nbqa ruff --fix docs/docs/tutorials/'
+py-lint-fix = 'ruff check --fix src/ tests/ docs/docs/tutorials/'
+py-format-fix = 'ruff format src/ tests/ docs/docs/tutorials/'
+nonpy-format-fix = 'npx prettier --write --list-different --config=prettierrc.toml --ignore-unknown .'
+nonpy-format-fix-modified = 'python tools/nonpy_prettier_modified.py --write'
+success-message = 'echo "✅ All auto-formatting steps completed successfully!"'
 
 fix = { depends-on = [
+  #'param-docstring-fix',  # ED only
+  'docstring-format-fix',
   'py-format-fix',
-  'docs-format-fix',
   'py-lint-fix',
   'nonpy-format-fix',
+  'notebook-lint-fix',
+  'success-message',
 ] }
 
-## 🧮 Code Complexity
+####################
+# 🧮 Code Complexity
+####################
+
 complexity-check = 'radon cc -s src/'
 complexity-check-json = 'radon cc -s -j src/'
 maintainability-check = 'radon mi src/'
@@ -149,62 +148,127 @@ maintainability-check-json = 'radon mi -j src/'
 raw-metrics = 'radon raw -s src/'
 raw-metrics-json = 'radon raw -s -j src/'
 
-## 📊 Coverage
+#############
+# 📊 Coverage
+#############
+
 unit-tests-coverage = 'pixi run unit-tests --cov=src/easydiffraction --cov-report=term-missing'
 integration-tests-coverage = 'pixi run integration-tests --cov=src/easydiffraction --cov-report=term-missing'
-docstring-coverage = 'interrogate -c pyproject.toml src/'
+docstring-coverage = 'interrogate -c pyproject.toml src/easydiffraction'
+
+cov = { depends-on = [
+  'docstring-coverage',
+  'unit-tests-coverage',
+  'integration-tests-coverage',
+] }
 
-cov = { depends-on = ['docstring-coverage', 'integration-tests-coverage'] }
+########################
+# 📓 Notebook Management
+########################
 
-## 📓 Notebook Management
-notebook-convert = 'jupytext tutorials/*.py --from py:percent --to ipynb'
-notebook-strip = 'nbstripout tutorials/*.ipynb'
+notebook-convert = 'jupytext docs/docs/tutorials/*.py --from py:percent --to ipynb'
+notebook-strip = 'nbstripout docs/docs/tutorials/*.ipynb'
 notebook-tweak = 'python tools/tweak_notebooks.py tutorials/'
-notebook-clean = 'rm -f tutorials/*.ipynb'
-notebook-exec = 'python -m pytest --nbmake tutorials/ --nbmake-timeout=600 --overwrite --color=yes -n auto -v'
+notebook-exec = 'python -m pytest --nbmake docs/docs/tutorials/ --nbmake-timeout=1200 --overwrite --color=yes -n auto -v'
 
 notebook-prepare = { depends-on = [
-  'notebook-convert',
+  #'notebook-convert',
   'notebook-strip',
-  'notebook-tweak',
+  #'notebook-tweak',
+] }
+
+########################
+# 📚 Documentation Tasks
+########################
+
+docs-vars = "JUPYTER_PLATFORM_DIRS=1 PYTHONWARNINGS='ignore::RuntimeWarning'"
+docs-pre = 'pixi run docs-vars python -m mkdocs'
+docs-serve = 'pixi run docs-pre serve -f docs/mkdocs.yml'
+docs-serve-dirty = 'pixi run docs-serve --dirty'
+docs-build = 'pixi run docs-pre build -f docs/mkdocs.yml'
+docs-build-local = 'pixi run docs-build --no-directory-urls'
+
+docs-deploy-pre = 'mike deploy -F docs/mkdocs.yml --push --branch gh-pages --update-aliases --alias-type redirect'
+docs-set-default-pre = 'mike set-default -F docs/mkdocs.yml --push --branch gh-pages'
+
+docs-update-assets = 'python tools/update_docs_assets.py'
+
+##############################
+# 📦 Template Management Tasks
+##############################
+
+copier-copy = 'copier copy gh:easyscience/templates . --data-file ../diffraction/.copier-answers.yml --data template_type=lib'
+copier-recopy = 'copier recopy --data-file ../diffraction/.copier-answers.yml --data template_type=lib'
+copier-update = 'copier update --data-file ../diffraction/.copier-answers.yml --data template_type=lib'
+
+#####################
+# 🪝 Pre-commit Hooks
+#####################
+
+pre-commit-clean = 'pre-commit clean'
+pre-commit-install = 'pre-commit install --hook-type pre-commit --hook-type pre-push --overwrite'
+pre-commit-uninstall = 'pre-commit uninstall --hook-type pre-commit --hook-type pre-push'
+pre-commit-setup = { depends-on = [
+  'pre-commit-clean',
+  'pre-commit-uninstall',
+  'pre-commit-install',
+] }
+
+#################
+# 🐙️ GitHub Tasks
+#################
+
+repo-wiki = 'gh api -X PATCH repos/easyscience/diffraction-lib -f has_wiki=false'
+repo-discussions = 'gh api -X PATCH repos/easyscience/diffraction-lib -f has_discussions=true'
+repo-description = "gh api -X PATCH repos/easyscience/diffraction-lib -f description='Diffraction data analysis'"
+repo-homepage = "gh api -X PATCH repos/easyscience/diffraction-lib -f homepage='https://easyscience.github.io/diffraction-lib'"
+repo-config = { depends-on = [
+  'repo-wiki',
+  'repo-discussions',
+  'repo-description',
+  'repo-homepage',
 ] }
 
-## 📚 Documentation Tasks
-docs-assets = 'tools/add_assets_to_docs.sh'
-docs-notebooks = 'mv tutorials/*.* docs/tutorials/' # *.py, *.ipynb, index.json
-docs-config = 'python tools/create_mkdocs_yml.py'
-docs-deploy = 'mike deploy --push --branch gh-pages --update-aliases --alias-type redirect'
-docs-set-default = 'mike set-default --push --branch gh-pages'
-docs-serve = "JUPYTER_PLATFORM_DIRS=1 PYTHONWARNINGS='ignore::RuntimeWarning' python -m mkdocs serve --dirty"
-docs-build = "JUPYTER_PLATFORM_DIRS=1 PYTHONWARNINGS='ignore::RuntimeWarning' python -m mkdocs build"
-docs-local = "pixi run docs-build --no-directory-urls"
-docs-clean = 'tools/cleanup_docs.sh'
-docs-setup = { depends-on = [
-  'docs-config',
-  'docs-assets',
-  'notebook-prepare',
-  'docs-notebooks',
+master-protection = 'gh api -X POST repos/easyscience/diffraction-lib/rulesets --input .github/configs/rulesets-master.json'
+develop-protection = 'gh api -X POST repos/easyscience/diffraction-lib/rulesets --input .github/configs/rulesets-develop.json'
+gh-pages-protection = 'gh api -X POST repos/easyscience/diffraction-lib/rulesets --input .github/configs/rulesets-gh-pages.json'
+branch-protection = { depends-on = [
+  'master-protection',
+  'develop-protection',
+  'gh-pages-protection',
 ] }
 
-## 🚀 Development & Build Tasks
+pages-deployment = 'gh api -X POST repos/easyscience/diffraction-lib/pages --input .github/configs/pages-deployment.json'
+
+github-labels = 'python tools/update_github_labels.py'
+
+#########################
+# ⚖️ SPDX License Headers
+#########################
+
+license-remove = 'python tools/license_headers.py remove src/ tests/ --exclude-from-pyproject-toml tool.ruff.exclude'
+license-add = 'python tools/license_headers.py add src/ tests/ --exclude-from-pyproject-toml tool.ruff.exclude'
+license-check = 'python tools/license_headers.py check src/ tests/ --exclude-from-pyproject-toml tool.ruff.exclude'
+
+####################################
+# 🚀 Other Development & Build Tasks
+####################################
+
+default-build = 'python -m build'
 dist-build = 'python -m build --wheel --outdir dist'
-spdx-update = 'python tools/update_spdx.py'
-#dev-install = 'uv pip install --requirements pyproject.toml --extra all'
-dev-install = "python -m uv pip install --force-reinstall --editable '.[all]'"
+
 npm-config = 'npm config set registry https://registry.npmjs.org/'
 prettier-install = 'npm install --no-save --no-audit --no-fund prettier prettier-plugin-toml'
-pre-commit-setup = 'pre-commit clean && pre-commit uninstall && pre-commit install --hook-type pre-commit --hook-type pre-push --overwrite'
-pre-commit-update = 'pre-commit autoupdate'
+
 clean-pycache = "find . -type d -name '__pycache__' -prune -exec rm -rf '{}' +"
 
-dev = { depends-on = [
-  'dev-install',
+post-install = { depends-on = [
   'npm-config',
   'prettier-install',
-  'pre-commit-setup',
+  #'pre-commit-setup',
 ] }
 
-wheel = { depends-on = ['npm-config', 'prettier-install'] }
-
-## 🔗 Main Package Shortcut
+##########################
+# 🔗 Main Package Shortcut
+##########################
 easydiffraction = 'python -m easydiffraction'
diff --git a/prettierrc.toml b/prettierrc.toml
index 6874d28d..b98c86eb 100644
--- a/prettierrc.toml
+++ b/prettierrc.toml
@@ -1,11 +1,22 @@
+plugins = [
+  "prettier-plugin-toml", # use the TOML plugin
+]
+
 endOfLine = 'lf'     # change line endings to LF
-printWidth = 80      # wrap Markdown files at 80 characters
 proseWrap = 'always' # change wrapping in Markdown files
 semi = false         # remove semicolons
 singleQuote = true   # use single quotes instead of double quotes
 tabWidth = 2         # change tab width to 2 spaces
 useTabs = false      # use spaces instead of tabs
 
-plugins = [
-  'prettier-plugin-toml', # use the TOML plugin
-]
+printWidth = 79 # wrap lines at 79 characters
+
+[[overrides]]
+files = ["*.md"]
+[overrides.options]
+printWidth = 72 # wrap Markdown files at 72 characters
+
+[[overrides]]
+files = ["*.yml", "*.yaml"]
+[overrides.options]
+printWidth = 88 # wrap YAML files at 88 characters
diff --git a/pycrysfml.md b/pycrysfml.md
index af681478..de9bc4d0 100644
--- a/pycrysfml.md
+++ b/pycrysfml.md
@@ -12,7 +12,8 @@
   ```bash
   otool -L .venv/lib/python3.12/site-packages/pycrysfml/crysfml08lib.so
   ```
-- If the library is linked to the wrong Python version, you can fix it with:
+- If the library is linked to the wrong Python version, you can fix it
+  with:
   ```bash
   install_name_tool -change `python3-config --prefix`/Python `python3-config --prefix`/lib/libpython3.12.dylib .venv/lib/python3.12/site-packages/pycrysfml/crysfml08lib.so
   ```
diff --git a/pyproject.toml b/pyproject.toml
index fb0118e3..88036948 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -6,9 +6,10 @@
 name = 'easydiffraction'
 dynamic = ['version'] # Use versioningit to manage the version
 description = 'Diffraction data analysis'
-authors = [{ name = 'EasyDiffraction contributors' }]
+authors = [{ name = 'EasyScience contributors' }]
 readme = 'README.md'
-license = { file = 'LICENSE' }
+license = 'BSD-3-Clause'
+license-files = ['LICENSE']
 classifiers = [
   'Intended Audience :: Science/Research',
   'Topic :: Scientific/Engineering',
@@ -20,9 +21,9 @@ classifiers = [
   'Programming Language :: Python :: 3.12',
   'Programming Language :: Python :: 3.13',
 ]
-requires-python = '>=3.11,<3.14'
+requires-python = '>=3.11'
 dependencies = [
-  'essdiffraction', # ESS Diffraction library
+  'essdiffraction', # ESS-specific diffraction library
   'numpy',          # Numerical computing library
   'colorama',       # Color terminal output
   'tabulate',       # Pretty-print tabular data for terminal output
@@ -43,29 +44,36 @@ dependencies = [
   'diffpy.utils',   # Utilities for PDF calculations
   'uncertainties',  # Propagation of uncertainties
   'typeguard',      # Runtime type checking
+  'darkdetect',     # Detecting dark mode (system-level)
+  'pandas',         # Displaying tables in Jupyter notebooks
+  'plotly',         # Interactive plots
+  'py3Dmol',        # Visualisation of crystal structures
+  'jupyterlab',     # Jupyter notebooks
+  'pixi-kernel',    # Pixi Jupyter kernel
 ]
 
 [project.optional-dependencies]
 dev = [
-  'build',                   # Building the package
-  'pre-commit',              # Pre-commit hooks
-  'jinja2',                  # Templating
-  'nbmake',                  # Building notebooks
-  'nbstripout',              # Strip output from notebooks
-  'nbqa',                    # Linting and formatting notebooks
-  'pytest',                  # Testing
-  'pytest-cov',              # Test coverage
-  'pytest-xdist',            # Enable parallel testing
-  'ruff',                    # Linting and formatting code
-  'radon',                   # Code complexity and maintainability
-  'validate-pyproject[all]', # Validate pyproject.toml
-  'versioningit',            # Automatic versioning from git tags
-  'jupytext',                # Jupyter notebook text format support
-  'jupyterquiz',             # Quizzes in Jupyter notebooks
-  'docformatter',            # Code formatter for docstrings
-  'interrogate',             # Check for missing docstrings
-]
-docs = [
+  'GitPython',                       # Interact with Git repositories
+  'build',                           # Building the package
+  'pre-commit',                      # Pre-commit hooks
+  'jinja2',                          # Templating
+  'nbmake',                          # Building notebooks
+  'nbstripout',                      # Strip output from notebooks
+  'nbqa',                            # Linting and formatting notebooks
+  'pytest',                          # Testing
+  'pytest-cov',                      # Test coverage
+  'pytest-xdist',                    # Enable parallel testing
+  'ruff',                            # Linting and formatting code
+  'radon',                           # Code complexity and maintainability
+  'validate-pyproject[all]',         # Validate pyproject.toml
+  'versioningit',                    # Automatic versioning from git tags
+  'jupytext',                        # Jupyter notebook text format support
+  'jupyterquiz',                     # Quizzes in Jupyter notebooks
+  'pydoclint',                       # Docstring linter
+  'format-docstring',                # Docstring formatter
+  'interrogate',                     # Docstring coverage checker
+  'copier',                          # Template management
   'mike',                            # MkDocs: Versioned documentation support
   'mkdocs',                          # Static site generator
   'mkdocs-material',                 # Documentation framework on top of MkDocs
@@ -75,35 +83,20 @@ docs = [
   'mkdocs-markdownextradata-plugin', # MkDocs: Markdown extra data support, such as global variables
   'mkdocstrings-python',             # MkDocs: Python docstring support
   'pyyaml',                          # YAML parser
-]
-visualization = [
-  'darkdetect', # Detecting dark mode (system-level)
-  'pandas',     # Displaying tables in Jupyter notebooks
-  'plotly',     # Interactive plots
-  'py3Dmol',    # Visualisation of crystal structures
-]
-all = [
-  'easydiffraction[dev]',
-  'easydiffraction[docs]',
-  'easydiffraction[visualization]',
+  'spdx-headers',                    # SPDX license header validation
 ]
 
 [project.urls]
-homepage = 'https://easydiffraction.org'
-documentation = 'https://docs.easydiffraction.org/lib'
-source = 'https://github.com/easyscience/diffraction-lib'
-tracker = 'https://github.com/easyscience/diffraction-lib/issues'
+Homepage = 'https://easydiffraction.org'
+Documentation = 'https://easyscience.github.io/diffraction-lib'
+'Release Notes' = 'https://github.com/easyscience/diffraction-lib/releases'
+'Source Code' = 'https://github.com/easyscience/diffraction-lib'
+'Issue Tracker' = 'https://github.com/easyscience/diffraction-lib/issues'
 
 ############################
 # Build system configuration
 ############################
 
-# Build system 'hatch' -- Python project manager
-# https://hatch.pypa.io/
-
-# Versioning system 'versioningit' -- Versioning from git tags
-# https://versioningit.readthedocs.io/
-
 [build-system]
 build-backend = 'hatchling.build'
 requires = ['hatchling', 'versioningit']
@@ -112,6 +105,9 @@ requires = ['hatchling', 'versioningit']
 # Configuration for hatchling
 #############################
 
+# 'hatch' -- Build system for Python
+# https://hatch.pypa.io/
+
 [tool.hatch.build.targets.wheel]
 packages = ['src/easydiffraction']
 
@@ -125,6 +121,9 @@ source = 'versioningit' # Use versioningit to manage the version
 # Configuration for versioningit
 ################################
 
+# 'versioningit' -- Versioning from git tags
+# https://versioningit.readthedocs.io/
+
 # Versioningit generates versions from git tags, so we don't need to
 # either specify them statically in pyproject.toml or save them in the
 # source code. Do not use {distance} in the version format, as it
@@ -144,43 +143,45 @@ method = 'git'
 match = ['v*']
 default-tag = 'v999.0.0'
 
-################################
-# Configuration for docformatter
-################################
-
-# 'docformatter' -- Code formatter for docstrings
-# https://docformatter.readthedocs.io/en/latest/
-
-[tool.docformatter]
-recursive = true
-wrap-summaries = 72
-wrap-descriptions = 72
-close-quotes-on-newline = true
-
 ################################
 # Configuration for interrogate
 ################################
 
-# 'interrogate' -- Check for missing docstrings
+# 'interrogate' -- Docstring coverage checker
 # https://interrogate.readthedocs.io/en/latest/
 
 [tool.interrogate]
-fail-under = 35                  # Temporarily reduce to allow gradual improvement
+fail-under = 35 # Minimum docstring coverage percentage to pass
 verbose = 1
-exclude = ["src/**/__init__.py"]
+#exclude = ['src/**/__init__.py']
 
 #######################################
 # Configuration for coverage/pytest-cov
 #######################################
 
+# 'coverage' -- Code coverage measurement tool
+# https://coverage.readthedocs.io/en/latest/
+
 [tool.coverage.run]
-branch = true                    # Measure branch coverage as well
-source = ['src/easydiffraction'] # Limit coverage to the source code directory
+branch = true    # Measure branch coverage as well
+source = ['src'] # Limit coverage to the source code directory
 
 [tool.coverage.report]
-show_missing = true # Show missing lines
-skip_covered = true # Skip files with 100% coverage in the report
-fail_under = 65     # Temporarily reduce to allow gradual improvement
+show_missing = true  # Show missing lines
+skip_covered = false # Skip files with 100% coverage in the report
+fail_under = 60      # Minimum coverage percentage to pass
+
+##########################
+# Configuration for pytest
+##########################
+
+# 'pytest' -- Testing framework
+# https://docs.pytest.org/en/stable/
+
+[tool.pytest.ini_options]
+addopts = '--import-mode=importlib'
+markers = ['fast: mark test as fast (should be run on every push)']
+testpaths = ['tests']
 
 ########################
 # Configuration for ruff
@@ -190,112 +191,201 @@ fail_under = 65     # Temporarily reduce to allow gradual improvement
 # https://docs.astral.sh/ruff/rules/
 
 [tool.ruff]
-# Temporarily exclude some directories until we have improved the code quality there
-#exclude = ['tests', 'tmp']
 exclude = [
   'tmp',
-  'tests/unit',
-  'tests/integration/fitting',
-  'tests/integration/scipp-analysis/tmp',
+  # Vendored jupyter_dark_detect: keep as-is from upstream for easy updates
+  # https://github.com/OpenMined/jupyter-dark-detect/tree/main/jupyter_dark_detect
+  'src/easydiffraction/utils/_vendored/jupyter_dark_detect',
 ]
 indent-width = 4
-line-length = 99
-# Enable new rules that are not yet stable, like DOC
-preview = true
+line-length = 99 # See also `max-line-length` in [tool.ruff.lint.pycodestyle]
+preview = true # Enable new rules that are not yet stable, like DOC
+
+# Formatting options for Ruff
+
+[tool.ruff.format]
+docstring-code-format = true    # Whether to format code snippets in docstrings
+docstring-code-line-length = 72 # Line length for code snippets in docstrings
+indent-style = 'space'          # PEP 8 recommends using spaces over tabs
+line-ending = 'lf'              # Line endings will be converted to \n
+quote-style = 'single'          # But double quotes in docstrings (PEP 8, PEP 257)
+
+# Linting rules to use with Ruff
 
-# https://docs.astral.sh/ruff/rules/
 [tool.ruff.lint]
 select = [
-  'ARG',    # Argument-related issues (e.g., unused arguments)
-  'B',      # Bugbear-specific checks (e.g., likely bugs, bad patterns)
-  'C',      # Complexity-related issues (e.g., high McCabe complexity)
-  'D',      # Docstring formatting issues (old rules)
-  'DOC',    # Docstring formatting issues (new rules)
-  'DTZ',    # Datetime timezone issues (e.g., inconsistent timezone formats)
-  'E',      # General PEP 8 style errors
-  'F',      # Pyflakes-specific checks (e.g., unused variables, imports)
-  'FLY',    # Flynt-specific checks (e.g., enforcing f-strings)
-  'G',      # Type annotation issues (e.g., missing or incorrect type hints)
-  'I',      # Import sorting issues (e.g., unsorted imports)
-  'ICN',    # Import conventions (e.g., enforce aliasing like import numpy as np)
-  'N',      # Naming convention issues (e.g., variable names, function names)
-  'NPY',    # NumPy-specific checks (e.g., array operations, broadcasting)
-  'PGH',    # Misc text patterns checks
-  'PTH',    # Encourages using pathlib over os.path
-  'S',      # Security-related issues (e.g., use of insecure functions or libraries)
-  'SIM',    # Simplification issues (e.g., redundant code, unnecessary constructs)
-  'TCH',    # Type checking issues (e.g., incompatible types, missing type annotations)
-  'TID252', # Enforces absolute imports over relative imports
-  'W',      # General PEP 8 warnings (e.g., lines too long, trailing whitespace)
-  #'ANN',   # Missing or incorrect type annotations
-  #'COM',   # Comment formatting issues
-  #'PERF',  # Performance-related issues (e.g., inefficient code patterns)
-  #'PIE',   # Potentially problematic idioms and errors
-  #'PL',    # PyLint-specific checks (e.g., code smells, potential errors)
-  #'PT',    # Pytest-related issues
-  #'RET',   # Return statement issues (e.g., inconsistent returns)
-  #'RUF',   # Ruff-specific checks (e.g., enforcing best practices)
-  #'SLF',   # Self argument-related issues (e.g., missing or misused self)
-  #'T20',   # Flake8-print-specific checks (e.g., print statements left in code) 
-  #'TD',    # Type definition issues (e.g., incorrect or missing type definitions)
-  #'TRY',   # Tryceratops Try/Except-related issues (e.g., broad exceptions, empty except blocks)
-  #'UP',    # Pyupgrade-specific checks
+  # Various rules
+  #'C90',  # https://docs.astral.sh/ruff/rules/#mccabe-c90
+  'D',   # https://docs.astral.sh/ruff/rules/#pydocstyle-d
+  'F',   # https://docs.astral.sh/ruff/rules/#pyflakes-f
+  'FLY', # https://docs.astral.sh/ruff/rules/#flynt-fly
+  #'FURB', # https://docs.astral.sh/ruff/rules/#refurb-furb
+  'I',   # https://docs.astral.sh/ruff/rules/#isort-i
+  'N',   # https://docs.astral.sh/ruff/rules/#pep8-naming-n
+  'NPY', # https://docs.astral.sh/ruff/rules/#numpy-specific-rules-npy
+  'PGH', # https://docs.astral.sh/ruff/rules/#pygrep-hooks-pgh
+  #'PERF', # https://docs.astral.sh/ruff/rules/#perflint-perf
+  #'RUF',  # https://docs.astral.sh/ruff/rules/#ruff-specific-rules-ruf
+  #'TRY',  # https://docs.astral.sh/ruff/rules/#tryceratops-try
+  #'UP',   # https://docs.astral.sh/ruff/rules/#pyupgrade-up
+  # pycodestyle (E, W) rules
+  'E', # https://docs.astral.sh/ruff/rules/#error-e
+  'W', # https://docs.astral.sh/ruff/rules/#warning-w
+  # Pylint (PL) rules
+  #'PLC', # https://docs.astral.sh/ruff/rules/#convention-plc
+  #'PLE', # https://docs.astral.sh/ruff/rules/#error-ple
+  #'PLR', # https://docs.astral.sh/ruff/rules/#refactor-plr
+  #'PLW', # https://docs.astral.sh/ruff/rules/#warning-plw
+  # flake8 rules
+  #'A',     # https://docs.astral.sh/ruff/rules/#flake8-builtins-a
+  'ANN', # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
+  'ARG', # https://docs.astral.sh/ruff/rules/#flake8-unused-arguments-arg
+  #'ASYNC', # https://docs.astral.sh/ruff/rules/#flake8-async-async
+  'B', # https://docs.astral.sh/ruff/rules/#flake8-bugbear-b
+  #'BLE',   # https://docs.astral.sh/ruff/rules/#flake8-blind-except-ble
+  #'C4',    # https://docs.astral.sh/ruff/rules/#flake8-comprehensions-c4
+  #'COM',   # https://docs.astral.sh/ruff/rules/#flake8-commas-com
+  'DTZ', # https://docs.astral.sh/ruff/rules/#flake8-datetimez-dtz
+  #'EM',    # https://docs.astral.sh/ruff/rules/#flake8-errmsg-em
+  #'FA',    # https://docs.astral.sh/ruff/rules/#flake8-future-annotations-fa
+  #'FBT',   # https://docs.astral.sh/ruff/rules/#flake8-boolean-trap-fbt
+  #'FIX',   # https://docs.astral.sh/ruff/rules/#flake8-fixme-fix
+  'G',   # https://docs.astral.sh/ruff/rules/#flake8-logging-format-g
+  'ICN', # https://docs.astral.sh/ruff/rules/#flake8-import-conventions-icn
+  #'INP',   # https://docs.astral.sh/ruff/rules/#flake8-no-pep420-inp
+  #'ISC',   # https://docs.astral.sh/ruff/rules/#flake8-implicit-str-concat-isc
+  #'LOG',   # https://docs.astral.sh/ruff/rules/#flake8-logging-log
+  #'PIE',   # https://docs.astral.sh/ruff/rules/#flake8-pie-pie
+  #'PT',    # https://docs.astral.sh/ruff/rules/#flake8-pytest-style-pt
+  'PTH', # https://docs.astral.sh/ruff/rules/#flake8-use-pathlib-pth
+  #'PYI',   # https://docs.astral.sh/ruff/rules/#flake8-pyi-pyi
+  #'RET',   # https://docs.astral.sh/ruff/rules/#flake8-return-ret
+  #'RSE',   # https://docs.astral.sh/ruff/rules/#flake8-raise-rse
+  'S',   # https://docs.astral.sh/ruff/rules/#flake8-bandit-s
+  'SIM', # https://docs.astral.sh/ruff/rules/#flake8-simplify-sim
+  #'SLF',   # https://docs.astral.sh/ruff/rules/#flake8-self-slf
+  #'SLOT',  # https://docs.astral.sh/ruff/rules/#flake8-slots-slot
+  #'T20',   # https://docs.astral.sh/ruff/rules/#flake8-print-t20
+  #'TC',    # https://docs.astral.sh/ruff/rules/#flake8-type-checking-tc
+  #'TD',    # https://docs.astral.sh/ruff/rules/#flake8-todos-td
+  #'TID',   # https://docs.astral.sh/ruff/rules/#flake8-tidy-imports-tid
 ]
-# Temporarily disable some docstring checks until we have improved the docstring coverage
+
+# Exceptions to the linting rules
+
+# Ignore specific rules globally
 ignore = [
-  'C408',   # Ignore: Unnecessary `dict()` call
-  'C416',   # Ignore: Unnecessary list comprehension
-  'D100',   # Ignore: Missing docstring in public module
-  'D101',   # Ignore: Missing docstring in class
-  'D102',   # Ignore: Missing docstring in public method
-  'D103',   # Ignore: Missing docstring in public function
-  'D104',   # Ignore: Missing docstring in public package
-  'D105',   # Ignore: Missing docstring in magic method
-  'D107',   # Ignore: Missing docstring in __init__
-  'D205',   # Ignore: 1 blank line required between summary and description
-  'DOC201', # Ignore: `return` is not documented in docstring
-  'DOC501', # Ignore: Raised exception `ValueError` missing from docstring
-  'DOC502', # Ignore: Raised exception is not explicitly raised: `TypeError`
-  'DTZ005', # Ignore: `datetime.datetime.now()` called without a `tz` argument
+  'COM812', # https://docs.astral.sh/ruff/rules/missing-trailing-comma/
+  # The following is replaced by 'D'/[tool.ruff.lint.pydocstyle] and [tool.pydoclint]
+  'DOC', # https://docs.astral.sh/ruff/rules/#pydoclint-doc
+  # Disable, as [tool.format_docstring] split one-line docstrings into the canonical multi-line layout
+  'D200', # https://docs.astral.sh/ruff/rules/unnecessary-multiline-docstring/
+  # Temporary:
+  'D100',   # https://docs.astral.sh/ruff/rules/undocumented-public-module/#undocumented-publi-module-d100
+  'D104',   # https://docs.astral.sh/ruff/rules/undocumented-public-package/#undocumented-public-package-d104
+  'DTZ005', # https://docs.astral.sh/ruff/rules/call-datetime-now-without-tzinfo/#call-datetime-now-without-tzinfo-dtz005
 ]
 
-# Temporarily increase McCabe complexity limit to 19 to allow
-# refactoring in smaller steps.
-[tool.ruff.lint.mccabe]
-max-complexity = 19 # default is 10
+# Ignore specific rules in certain files or directories
+[tool.ruff.lint.per-file-ignores]
+'*/__init__.py' = [
+  'F401', # re-exports are intentional in __init__.py
+]
+'tests/**' = [
+  'ANN',    # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
+  'D',      # https://docs.astral.sh/ruff/rules/#pydocstyle-d
+  'DOC',    # https://docs.astral.sh/ruff/rules/#pydoclint-doc
+  'INP001', # https://docs.astral.sh/ruff/rules/implicit-namespace-package/
+  'S101',   # https://docs.astral.sh/ruff/rules/assert/
+  # Temporary:
+  'ARG001',
+  'ARG002',
+  'ARG004',
+  'ARG005',
+  'B011',
+  'B017',
+  'B018',
+  'E501',
+  'E741',
+  'F841',
+  'I001',
+  'N801',
+  'N805',
+  'N812',
+  'PLC',
+  'PLE',
+  'PLR',
+  'PLW',
+  'SIM117',
+  'W505',
+]
+'docs/**' = [
+  'INP001', # https://docs.astral.sh/ruff/rules/implicit-namespace-package/
+  'T201',   # https://docs.astral.sh/ruff/rules/print/
+  # Temporary:
+  'ANN',
+  'D',
+  'W',
+]
+
+# Specific options for certain rules
 
 [tool.ruff.lint.flake8-tidy-imports]
+# Disallow all relative imports
 ban-relative-imports = 'all'
 
 [tool.ruff.lint.isort]
+# Forces all from imports to appear on their own line
 force-single-line = true
 
-[tool.ruff.lint.per-file-ignores]
-'*test_*.py' = ['S101']  # allow asserts in test files
-'conftest.py' = ['S101'] # allow asserts in test files
-# Vendored jupyter_dark_detect: keep as-is from upstream for easy updates
-# https://github.com/OpenMined/jupyter-dark-detect/tree/main/jupyter_dark_detect
-'src/easydiffraction/utils/_vendored/jupyter_dark_detect/*' = [
-  'S110',   # try-except-pass
-  'S112',   # try-except-continue
-  'S404',   # subprocess module
-  'S607',   # partial executable path
-  'TID252', # relative imports
-  'W291',   # trailing whitespace (in JS strings)
-  'W505',   # doc line too long
-  'E501',   # line too long (in JS strings)
-]
+[tool.ruff.lint.mccabe]
+# Cyclomatic complexity threshold (default is 10)
+max-complexity = 10
 
 [tool.ruff.lint.pycodestyle]
-max-line-length = 100 #99# https://peps.python.org/pep-0008/#maximum-line-length
-max-doc-length = 72   # https://peps.python.org/pep-0008/#maximum-line-length
+# PEP 8 line length guidance:
+# https://peps.python.org/pep-0008/#maximum-line-length
+# Use 99 characters as the project-wide maximum for regular code lines.
+# Use 72 characters for docstrings.
+max-line-length = 99 # See also `line-length` in [tool.ruff]
+max-doc-length = 72
 
 [tool.ruff.lint.pydocstyle]
-convention = 'google'
+convention = 'numpy'
 
-[tool.ruff.format]
-docstring-code-format = true    # Whether to format code snippets in docstrings
-docstring-code-line-length = 72 # Line length for code snippets in docstrings
-indent-style = 'space'          # PEP 8 recommends using spaces over tabs
-line-ending = 'lf'              # Line endings will be converted to \n
-quote-style = 'single'          # But double quotes in docstrings (PEP 8, PEP 257)
+#############################
+# Configuration for pydoclint
+#############################
+
+# 'pydoclint' -- Docstring linter, a faster alternative to
+# 'darglint' or 'darglint2'.
+# https://pypi.org/project/pydoclint/
+
+# This is a more advanced docstring linter compared to Ruff's built-in
+# docstring check rules D or DOC. For example, among many other things,
+# it can check that arguments in the docstring, which are used by MkDocs
+# and IDEs to render parameter documentation, remain synchronized with
+# the parameter declarations in the code (in function's signature).
+
+[tool.pydoclint]
+#exclude = '\.' # Temporarily disable pydoclint until we are ready
+exclude = 'src/easydiffraction/utils/_vendored/jupyter_dark_detect' # ED only
+style = 'numpy'
+check-style-mismatch = true
+check-arg-defaults = true
+allow-init-docstring = true
+
+####################################
+# Configuration for format-docstring
+####################################
+
+# 'format-docstring' -- Code formatter for docstrings
+# https://github.com/jsh9/format-docstring
+
+[tool.format_docstring]
+#exclude = '\.' # Temporarily disable format-docstring until we are ready
+exclude = 'src/easydiffraction/utils/_vendored/jupyter_dark_detect' # ED only
+docstring_style = 'numpy'
+line_length = 72
+fix_rst_backticks = true
+verbose = 'default'
diff --git a/pytest.ini b/pytest.ini
deleted file mode 100644
index 907883e8..00000000
--- a/pytest.ini
+++ /dev/null
@@ -1,13 +0,0 @@
-[pytest]
-addopts = --import-mode=importlib
-markers =
-    fast: mark test as fast (should be run on every push)
-    integration: mark test as integration (slow; opt-in)
-testpaths =
-    tests
-filterwarnings =
-    ignore::DeprecationWarning:cryspy\.
-    ignore:.*scipy\.misc is deprecated.*:DeprecationWarning
-    # Suppress expected UserWarnings emitted during tutorial list fetching in tests
-    ignore:Falling back to latest release info\...:UserWarning:easydiffraction\.utils\.logging
-    ignore:'tutorials\.zip' not found in the release\.:UserWarning:easydiffraction\.utils\.logging
diff --git a/src/easydiffraction/__init__.py b/src/easydiffraction/__init__.py
index 259c931d..10308402 100644
--- a/src/easydiffraction/__init__.py
+++ b/src/easydiffraction/__init__.py
@@ -1,30 +1,17 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.experiment.factory import ExperimentFactory
+from easydiffraction.datablocks.experiment.item.factory import ExperimentFactory
+from easydiffraction.datablocks.structure.item.factory import StructureFactory
+from easydiffraction.io.ascii import extract_data_paths_from_dir
+from easydiffraction.io.ascii import extract_data_paths_from_zip
+from easydiffraction.io.ascii import extract_metadata
 from easydiffraction.project.project import Project
-from easydiffraction.sample_models.sample_model.factory import SampleModelFactory
 from easydiffraction.utils.logging import Logger
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.logging import log
 from easydiffraction.utils.utils import download_all_tutorials
 from easydiffraction.utils.utils import download_data
 from easydiffraction.utils.utils import download_tutorial
-from easydiffraction.utils.utils import get_value_from_xye_header
 from easydiffraction.utils.utils import list_tutorials
 from easydiffraction.utils.utils import show_version
-
-__all__ = [
-    'Project',
-    'ExperimentFactory',
-    'SampleModelFactory',
-    'download_data',
-    'download_tutorial',
-    'download_all_tutorials',
-    'list_tutorials',
-    'get_value_from_xye_header',
-    'show_version',
-    'Logger',
-    'log',
-    'console',
-]
diff --git a/src/easydiffraction/__main__.py b/src/easydiffraction/__main__.py
index c850b1fa..1a058dd6 100644
--- a/src/easydiffraction/__main__.py
+++ b/src/easydiffraction/__main__.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import sys
@@ -25,7 +25,7 @@ def main(
         help='Show easydiffraction version and exit.',
         is_eager=True,
     ),
-):
+) -> None:
     """EasyDiffraction command-line interface."""
     if version:
         ed.show_version()
@@ -38,7 +38,7 @@ def main(
 
 
 @app.command('list-tutorials')
-def list_tutorials():
+def list_tutorials() -> None:
     """List available tutorial notebooks."""
     ed.list_tutorials()
 
@@ -58,7 +58,7 @@ def download_tutorial(
         '-o',
         help='Overwrite existing file if present.',
     ),
-):
+) -> None:
     """Download a specific tutorial notebook by ID."""
     ed.download_tutorial(id=id, destination=destination, overwrite=overwrite)
 
@@ -77,7 +77,7 @@ def download_all_tutorials(
         '-o',
         help='Overwrite existing files if present.',
     ),
-):
+) -> None:
     """Download all available tutorial notebooks."""
     ed.download_all_tutorials(destination=destination, overwrite=overwrite)
 
diff --git a/src/easydiffraction/analysis/__init__.py b/src/easydiffraction/analysis/__init__.py
index 429f2648..78150ea5 100644
--- a/src/easydiffraction/analysis/__init__.py
+++ b/src/easydiffraction/analysis/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/analysis/analysis.py b/src/easydiffraction/analysis/analysis.py
index 3532290e..c87fc545 100644
--- a/src/easydiffraction/analysis/analysis.py
+++ b/src/easydiffraction/analysis/analysis.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typing import List
@@ -7,18 +7,20 @@
 
 import pandas as pd
 
-from easydiffraction.analysis.calculators.factory import CalculatorFactory
-from easydiffraction.analysis.categories.aliases import Aliases
-from easydiffraction.analysis.categories.constraints import Constraints
+from easydiffraction.analysis.categories.aliases.factory import AliasesFactory
+from easydiffraction.analysis.categories.constraints.factory import ConstraintsFactory
+from easydiffraction.analysis.categories.fit_mode import FitModeEnum
+from easydiffraction.analysis.categories.fit_mode import FitModeFactory
 from easydiffraction.analysis.categories.joint_fit_experiments import JointFitExperiments
 from easydiffraction.analysis.fitting import Fitter
 from easydiffraction.analysis.minimizers.factory import MinimizerFactory
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.singletons import ConstraintsHandler
+from easydiffraction.core.singleton import ConstraintsHandler
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import Parameter
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.collection import Experiments
 from easydiffraction.display.tables import TableRenderer
-from easydiffraction.experiments.experiments import Experiments
+from easydiffraction.utils.enums import VerbosityEnum
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.logging import log
 from easydiffraction.utils.utils import render_cif
@@ -26,53 +28,194 @@
 
 
 class Analysis:
-    """High-level orchestration of analysis tasks for a Project.
+    """
+    High-level orchestration of analysis tasks for a Project.
 
     This class wires calculators and minimizers, exposes a compact
     interface for parameters, constraints and results, and coordinates
-    computations across the project's sample models and experiments.
+    computations across the project's structures and experiments.
+    """
 
-    Typical usage:
+    def __init__(self, project: object) -> None:
+        """
+        Create a new Analysis instance bound to a project.
 
-    - Display or filter parameters to fit.
-    - Select a calculator/minimizer implementation.
-    - Calculate patterns and run single or joint fits.
+        Parameters
+        ----------
+        project : object
+            The project that owns models and experiments.
+        """
+        self.project = project
+        self._aliases_type: str = AliasesFactory.default_tag()
+        self.aliases = AliasesFactory.create(self._aliases_type)
+        self._constraints_type: str = ConstraintsFactory.default_tag()
+        self.constraints = ConstraintsFactory.create(self._constraints_type)
+        self.constraints_handler = ConstraintsHandler.get()
+        self._fit_mode_type: str = FitModeFactory.default_tag()
+        self._fit_mode = FitModeFactory.create(self._fit_mode_type)
+        self._joint_fit_experiments = JointFitExperiments()
+        self.fitter = Fitter('lmfit')
+        self.fit_results = None
+        self._parameter_snapshots: dict[str, dict[str, dict]] = {}
+
+    def help(self) -> None:
+        """Print a summary of analysis properties and methods."""
+        from easydiffraction.core.guard import GuardedBase
+
+        console.paragraph("Help for 'Analysis'")
+
+        cls = type(self)
+
+        # Auto-discover properties from MRO
+        seen_props: dict = {}
+        for base in cls.mro():
+            for key, attr in base.__dict__.items():
+                if key.startswith('_') or not isinstance(attr, property):
+                    continue
+                if key not in seen_props:
+                    seen_props[key] = attr
+
+        prop_rows = []
+        for i, key in enumerate(sorted(seen_props), 1):
+            prop = seen_props[key]
+            writable = '✓' if prop.fset else '✗'
+            doc = GuardedBase._first_sentence(prop.fget.__doc__ if prop.fget else None)
+            prop_rows.append([str(i), key, writable, doc])
+
+        if prop_rows:
+            console.paragraph('Properties')
+            render_table(
+                columns_headers=['#', 'Name', 'Writable', 'Description'],
+                columns_alignment=['right', 'left', 'center', 'left'],
+                columns_data=prop_rows,
+            )
 
-    Attributes:
-    project: The parent Project object.
-        aliases: A registry of human-friendly aliases for parameters.
-        constraints: Symbolic constraints between parameters.
-    calculator: Active calculator used for computations.
-        fitter: Active fitter/minimizer driver.
-    """
+        # Auto-discover methods from MRO
+        seen_methods: set = set()
+        methods_list: list = []
+        for base in cls.mro():
+            for key, attr in base.__dict__.items():
+                if key.startswith('_') or key in seen_methods:
+                    continue
+                if isinstance(attr, property):
+                    continue
+                raw = attr
+                if isinstance(raw, (staticmethod, classmethod)):
+                    raw = raw.__func__
+                if callable(raw):
+                    seen_methods.add(key)
+                    methods_list.append((key, raw))
+
+        method_rows = []
+        for i, (key, method) in enumerate(sorted(methods_list), 1):
+            doc = GuardedBase._first_sentence(getattr(method, '__doc__', None))
+            method_rows.append([str(i), f'{key}()', doc])
+
+        if method_rows:
+            console.paragraph('Methods')
+            render_table(
+                columns_headers=['#', 'Name', 'Description'],
+                columns_alignment=['right', 'left', 'left'],
+                columns_data=method_rows,
+            )
 
-    _calculator = CalculatorFactory.create_calculator('cryspy')
+    # ------------------------------------------------------------------
+    #  Aliases (switchable-category pattern)
+    # ------------------------------------------------------------------
 
-    def __init__(self, project) -> None:
-        """Create a new Analysis instance bound to a project.
+    @property
+    def aliases_type(self) -> str:
+        """Tag of the active aliases collection type."""
+        return self._aliases_type
 
-        Args:
-            project: The project that owns models and experiments.
+    @aliases_type.setter
+    def aliases_type(self, new_type: str) -> None:
         """
-        self.project = project
-        self.aliases = Aliases()
-        self.constraints = Constraints()
-        self.constraints_handler = ConstraintsHandler.get()
-        self.calculator = Analysis._calculator  # Default calculator shared by project
-        self._calculator_key: str = 'cryspy'  # Added to track the current calculator
-        self._fit_mode: str = 'single'
-        self.fitter = Fitter('lmfit (leastsq)')
+        Switch to a different aliases collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Aliases tag (e.g. ``'default'``).
+        """
+        supported_tags = AliasesFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported aliases type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_aliases_types()'",
+            )
+            return
+        self.aliases = AliasesFactory.create(new_type)
+        self._aliases_type = new_type
+        console.paragraph('Aliases type changed to')
+        console.print(new_type)
+
+    def show_supported_aliases_types(self) -> None:
+        """Print a table of supported aliases collection types."""
+        AliasesFactory.show_supported()
+
+    def show_current_aliases_type(self) -> None:
+        """Print the currently used aliases collection type."""
+        console.paragraph('Current aliases type')
+        console.print(self._aliases_type)
+
+    # ------------------------------------------------------------------
+    #  Constraints (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def constraints_type(self) -> str:
+        """Tag of the active constraints collection type."""
+        return self._constraints_type
+
+    @constraints_type.setter
+    def constraints_type(self, new_type: str) -> None:
+        """
+        Switch to a different constraints collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Constraints tag (e.g. ``'default'``).
+        """
+        supported_tags = ConstraintsFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported constraints type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_constraints_types()'",
+            )
+            return
+        self.constraints = ConstraintsFactory.create(new_type)
+        self._constraints_type = new_type
+        console.paragraph('Constraints type changed to')
+        console.print(new_type)
+
+    def show_supported_constraints_types(self) -> None:
+        """Print a table of supported constraints collection types."""
+        ConstraintsFactory.show_supported()
+
+    def show_current_constraints_type(self) -> None:
+        """Print the currently used constraints collection type."""
+        console.paragraph('Current constraints type')
+        console.print(self._constraints_type)
 
     def _get_params_as_dataframe(
         self,
         params: List[Union[NumericDescriptor, Parameter]],
     ) -> pd.DataFrame:
-        """Convert a list of parameters to a DataFrame.
+        """
+        Convert a list of parameters to a DataFrame.
 
-        Args:
-            params: List of DescriptorFloat or Parameter objects.
+        Parameters
+        ----------
+        params : List[Union[NumericDescriptor, Parameter]]
+            List of DescriptorFloat or Parameter objects.
 
-        Returns:
+        Returns
+        -------
+        pd.DataFrame
             A pandas DataFrame containing parameter information.
         """
         records = []
@@ -108,13 +251,11 @@ def _get_params_as_dataframe(
         return df
 
     def show_all_params(self) -> None:
-        """Print a table with all parameters for sample models and
-        experiments.
-        """
-        sample_models_params = self.project.sample_models.parameters
+        """Print all parameters for structures and experiments."""
+        structures_params = self.project.structures.parameters
         experiments_params = self.project.experiments.parameters
 
-        if not sample_models_params and not experiments_params:
+        if not structures_params and not experiments_params:
             log.warning('No parameters found.')
             return
 
@@ -129,8 +270,8 @@ def show_all_params(self) -> None:
             'fittable',
         ]
 
-        console.paragraph('All parameters for all sample models (🧩 data blocks)')
-        df = self._get_params_as_dataframe(sample_models_params)
+        console.paragraph('All parameters for all structures (🧩 data blocks)')
+        df = self._get_params_as_dataframe(structures_params)
         filtered_df = df[filtered_headers]
         tabler.render(filtered_df)
 
@@ -140,13 +281,11 @@ def show_all_params(self) -> None:
         tabler.render(filtered_df)
 
     def show_fittable_params(self) -> None:
-        """Print a table with parameters that can be included in
-        fitting.
-        """
-        sample_models_params = self.project.sample_models.fittable_parameters
+        """Print all fittable parameters."""
+        structures_params = self.project.structures.fittable_parameters
         experiments_params = self.project.experiments.fittable_parameters
 
-        if not sample_models_params and not experiments_params:
+        if not structures_params and not experiments_params:
             log.warning('No fittable parameters found.')
             return
 
@@ -163,8 +302,8 @@ def show_fittable_params(self) -> None:
             'free',
         ]
 
-        console.paragraph('Fittable parameters for all sample models (🧩 data blocks)')
-        df = self._get_params_as_dataframe(sample_models_params)
+        console.paragraph('Fittable parameters for all structures (🧩 data blocks)')
+        df = self._get_params_as_dataframe(structures_params)
         filtered_df = df[filtered_headers]
         tabler.render(filtered_df)
 
@@ -174,12 +313,10 @@ def show_fittable_params(self) -> None:
         tabler.render(filtered_df)
 
     def show_free_params(self) -> None:
-        """Print a table with only currently-free (varying)
-        parameters.
-        """
-        sample_models_params = self.project.sample_models.free_parameters
+        """Print only currently free (varying) parameters."""
+        structures_params = self.project.structures.free_parameters
         experiments_params = self.project.experiments.free_parameters
-        free_params = sample_models_params + experiments_params
+        free_params = structures_params + experiments_params
 
         if not free_params:
             log.warning('No free parameters found.')
@@ -200,23 +337,23 @@ def show_free_params(self) -> None:
         ]
 
         console.paragraph(
-            'Free parameters for both sample models (🧩 data blocks) '
-            'and experiments (🔬 data blocks)'
+            'Free parameters for both structures (🧩 data blocks) and experiments (🔬 data blocks)'
         )
         df = self._get_params_as_dataframe(free_params)
         filtered_df = df[filtered_headers]
         tabler.render(filtered_df)
 
     def how_to_access_parameters(self) -> None:
-        """Show Python access paths for all parameters.
+        """
+        Show Python access paths for all parameters.
 
         The output explains how to reference specific parameters in
         code.
         """
-        sample_models_params = self.project.sample_models.parameters
+        structures_params = self.project.structures.parameters
         experiments_params = self.project.experiments.parameters
         all_params = {
-            'sample_models': sample_models_params,
+            'structures': structures_params,
             'experiments': experiments_params,
         }
 
@@ -272,15 +409,16 @@ def how_to_access_parameters(self) -> None:
         )
 
     def show_parameter_cif_uids(self) -> None:
-        """Show CIF unique IDs for all parameters.
+        """
+        Show CIF unique IDs for all parameters.
 
         The output explains which unique identifiers are used when
         creating CIF-based constraints.
         """
-        sample_models_params = self.project.sample_models.parameters
+        structures_params = self.project.structures.parameters
         experiments_params = self.project.experiments.parameters
         all_params = {
-            'sample_models': sample_models_params,
+            'structures': structures_params,
             'experiments': experiments_params,
         }
 
@@ -328,40 +466,6 @@ def show_parameter_cif_uids(self) -> None:
             columns_data=columns_data,
         )
 
-    def show_current_calculator(self) -> None:
-        """Print the name of the currently selected calculator
-        engine.
-        """
-        console.paragraph('Current calculator')
-        console.print(self.current_calculator)
-
-    @staticmethod
-    def show_supported_calculators() -> None:
-        """Print a table of available calculator backends on this
-        system.
-        """
-        CalculatorFactory.show_supported_calculators()
-
-    @property
-    def current_calculator(self) -> str:
-        """The key/name of the active calculator backend."""
-        return self._calculator_key
-
-    @current_calculator.setter
-    def current_calculator(self, calculator_name: str) -> None:
-        """Switch to a different calculator backend.
-
-        Args:
-            calculator_name: Calculator key to use (e.g. 'cryspy').
-        """
-        calculator = CalculatorFactory.create_calculator(calculator_name)
-        if calculator is None:
-            return
-        self.calculator = calculator
-        self._calculator_key = calculator_name
-        console.paragraph('Current calculator changed to')
-        console.print(self.current_calculator)
-
     def show_current_minimizer(self) -> None:
         """Print the name of the currently selected minimizer."""
         console.paragraph('Current minimizer')
@@ -369,10 +473,8 @@ def show_current_minimizer(self) -> None:
 
     @staticmethod
     def show_available_minimizers() -> None:
-        """Print a table of available minimizer drivers on this
-        system.
-        """
-        MinimizerFactory.show_available_minimizers()
+        """Print available minimizer drivers on this system."""
+        MinimizerFactory.show_supported()
 
     @property
     def current_minimizer(self) -> Optional[str]:
@@ -381,114 +483,92 @@ def current_minimizer(self) -> Optional[str]:
 
     @current_minimizer.setter
     def current_minimizer(self, selection: str) -> None:
-        """Switch to a different minimizer implementation.
+        """
+        Switch to a different minimizer implementation.
 
-        Args:
-            selection: Minimizer selection string, e.g.
-                'lmfit (leastsq)'.
+        Parameters
+        ----------
+        selection : str
+            Minimizer selection string, e.g. 'lmfit'.
         """
         self.fitter = Fitter(selection)
         console.paragraph('Current minimizer changed to')
         console.print(self.current_minimizer)
 
+    # ------------------------------------------------------------------
+    #  Fit mode (switchable-category pattern)
+    # ------------------------------------------------------------------
+
     @property
-    def fit_mode(self) -> str:
-        """Current fitting strategy: either 'single' or 'joint'."""
+    def fit_mode(self) -> object:
+        """Fit-mode category item holding the active strategy."""
         return self._fit_mode
 
-    @fit_mode.setter
-    def fit_mode(self, strategy: str) -> None:
-        """Set the fitting strategy.
-
-        When set to 'joint', all experiments get default weights and
-        are used together in a single optimization.
-
-        Args:
-                strategy: Either 'single' or 'joint'.
+    @property
+    def fit_mode_type(self) -> str:
+        """Tag of the active fit-mode category type."""
+        return self._fit_mode_type
 
-        Raises:
-            ValueError: If an unsupported strategy value is
-                provided.
+    @fit_mode_type.setter
+    def fit_mode_type(self, new_type: str) -> None:
         """
-        if strategy not in ['single', 'joint']:
-            raise ValueError("Fit mode must be either 'single' or 'joint'")
-        self._fit_mode = strategy
-        if strategy == 'joint' and not hasattr(self, 'joint_fit_experiments'):
-            # Pre-populate all experiments with weight 0.5
-            self.joint_fit_experiments = JointFitExperiments()
-            for id in self.project.experiments.names:
-                self.joint_fit_experiments.add(id=id, weight=0.5)
-        console.paragraph('Current fit mode changed to')
-        console.print(self._fit_mode)
-
-    def show_available_fit_modes(self) -> None:
-        """Print all supported fitting strategies and their
-        descriptions.
+        Switch to a different fit-mode category type.
+
+        Parameters
+        ----------
+        new_type : str
+            Fit-mode tag (e.g. ``'default'``).
         """
-        strategies = [
-            {
-                'Strategy': 'single',
-                'Description': 'Independent fitting of each experiment; no shared parameters',
-            },
-            {
-                'Strategy': 'joint',
-                'Description': 'Simultaneous fitting of all experiments; '
-                'some parameters are shared',
-            },
-        ]
+        supported_tags = FitModeFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported fit-mode type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_fit_mode_types()'",
+            )
+            return
+        self._fit_mode = FitModeFactory.create(new_type)
+        self._fit_mode_type = new_type
+        console.paragraph('Fit-mode type changed to')
+        console.print(new_type)
 
-        columns_headers = ['Strategy', 'Description']
-        columns_alignment = ['left', 'left']
-        columns_data = []
-        for item in strategies:
-            strategy = item['Strategy']
-            description = item['Description']
-            columns_data.append([strategy, description])
+    def show_supported_fit_mode_types(self) -> None:
+        """Print a table of supported fit-mode category types."""
+        FitModeFactory.show_supported()
 
-        console.paragraph('Available fit modes')
-        render_table(
-            columns_headers=columns_headers,
-            columns_alignment=columns_alignment,
-            columns_data=columns_data,
-        )
+    def show_current_fit_mode_type(self) -> None:
+        """Print the currently used fit-mode category type."""
+        console.paragraph('Current fit-mode type')
+        console.print(self._fit_mode_type)
+
+    # ------------------------------------------------------------------
+    #  Joint-fit experiments (category)
+    # ------------------------------------------------------------------
 
-    def show_current_fit_mode(self) -> None:
-        """Print the currently active fitting strategy."""
-        console.paragraph('Current fit mode')
-        console.print(self.fit_mode)
+    @property
+    def joint_fit_experiments(self) -> object:
+        """Per-experiment weight collection for joint fitting."""
+        return self._joint_fit_experiments
 
     def show_constraints(self) -> None:
         """Print a table of all user-defined symbolic constraints."""
-        constraints_dict = dict(self.constraints)
-
         if not self.constraints._items:
             log.warning('No constraints defined.')
             return
 
         rows = []
-        for constraint in constraints_dict.values():
-            row = {
-                'lhs_alias': constraint.lhs_alias.value,
-                'rhs_expr': constraint.rhs_expr.value,
-                'full expression': f'{constraint.lhs_alias.value} = {constraint.rhs_expr.value}',
-            }
-            rows.append(row)
-
-        headers = ['lhs_alias', 'rhs_expr', 'full expression']
-        alignments = ['left', 'left', 'left']
-        rows = [[row[header] for header in headers] for row in rows]
+        for constraint in self.constraints:
+            rows.append([constraint.expression.value])
 
         console.paragraph('User defined constraints')
         render_table(
-            columns_headers=headers,
-            columns_alignment=alignments,
+            columns_headers=['expression'],
+            columns_alignment=['left'],
             columns_data=rows,
         )
 
-    def apply_constraints(self):
-        """Apply the currently defined constraints to the active
-        project.
-        """
+    def apply_constraints(self) -> None:
+        """Apply currently defined constraints to the project."""
         if not self.constraints._items:
             log.warning('No constraints defined.')
             return
@@ -497,31 +577,41 @@ def apply_constraints(self):
         self.constraints_handler.set_constraints(self.constraints)
         self.constraints_handler.apply()
 
-    def fit(self):
-        """Execute fitting using the selected mode, calculator and
-        minimizer.
+    def fit(self, verbosity: str | None = None) -> None:
+        """
+        Execute fitting for all experiments.
 
         This method performs the optimization but does not display
         results automatically. Call :meth:`show_fit_results` after
         fitting to see a summary of the fit quality and parameter
         values.
 
-        In 'single' mode, fits each experiment independently. In
-        'joint' mode, performs a simultaneous fit across experiments
-        with weights.
+        In 'single' mode, fits each experiment independently. In 'joint'
+        mode, performs a simultaneous fit across experiments with
+        weights.
 
         Sets :attr:`fit_results` on success, which can be accessed
-        programmatically
-        (e.g., ``analysis.fit_results.reduced_chi_square``).
-
-        Example::
-
-            project.analysis.fit()
-            project.analysis.show_fit_results()  # Display results
+        programmatically (e.g.,
+        ``analysis.fit_results.reduced_chi_square``).
+
+        Parameters
+        ----------
+        verbosity : str | None, default=None
+            Console output verbosity: ``'full'`` for detailed per-
+            experiment progress, ``'short'`` for a
+            one-row-per-experiment summary table, or ``'silent'`` for no
+            output. When ``None``, uses ``project.verbosity``.
+
+        Raises
+        ------
+        NotImplementedError
+            If the fit mode is not ``'single'`` or ``'joint'``.
         """
-        sample_models = self.project.sample_models
-        if not sample_models:
-            log.warning('No sample models found in the project. Cannot run fit.')
+        verb = VerbosityEnum(verbosity if verbosity is not None else self.project.verbosity)
+
+        structures = self.project.structures
+        if not structures:
+            log.warning('No structures found in the project. Cannot run fit.')
             return
 
         experiments = self.project.experiments
@@ -530,23 +620,58 @@ def fit(self):
             return
 
         # Run the fitting process
-        if self.fit_mode == 'joint':
-            console.paragraph(
-                f"Using all experiments 🔬 {experiments.names} for '{self.fit_mode}' fitting"
-            )
+        mode = FitModeEnum(self._fit_mode.mode.value)
+        if mode is FitModeEnum.JOINT:
+            # Auto-populate joint_fit_experiments if empty
+            if not len(self._joint_fit_experiments):
+                for id in experiments.names:
+                    self._joint_fit_experiments.create(id=id, weight=0.5)
+            if verb is not VerbosityEnum.SILENT:
+                console.paragraph(
+                    f"Using all experiments 🔬 {experiments.names} for '{mode.value}' fitting"
+                )
             self.fitter.fit(
-                sample_models,
+                structures,
                 experiments,
-                weights=self.joint_fit_experiments,
+                weights=self._joint_fit_experiments,
                 analysis=self,
+                verbosity=verb,
             )
-        elif self.fit_mode == 'single':
-            # TODO: Find a better way without creating dummy
-            #  experiments?
-            for expt_name in experiments.names:
+
+            # After fitting, get the results
+            self.fit_results = self.fitter.results
+
+        elif mode is FitModeEnum.SINGLE:
+            expt_names = experiments.names
+            num_expts = len(expt_names)
+
+            # Short mode: print header and create display handle once
+            short_headers = ['experiment', 'χ²', 'iterations', 'status']
+            short_alignments = ['left', 'right', 'right', 'center']
+            short_rows: list[list[str]] = []
+            short_display_handle: object | None = None
+            if verb is VerbosityEnum.SHORT:
+                from easydiffraction.analysis.fit_helpers.tracking import _make_display_handle
+
+                first = expt_names[0]
+                last = expt_names[-1]
+                minimizer_name = self.fitter.selection
                 console.paragraph(
-                    f"Using experiment 🔬 '{expt_name}' for '{self.fit_mode}' fitting"
+                    f"Using {num_expts} experiments 🔬 from '{first}' to "
+                    f"'{last}' for '{mode.value}' fitting"
                 )
+                console.print(f"🚀 Starting fit process with '{minimizer_name}'...")
+                console.print('📈 Goodness-of-fit (reduced χ²) per experiment:')
+                short_display_handle = _make_display_handle()
+
+            # TODO: Find a better way without creating dummy
+            #  experiments?
+            for _idx, expt_name in enumerate(expt_names, start=1):
+                if verb is VerbosityEnum.FULL:
+                    console.paragraph(
+                        f"Using experiment 🔬 '{expt_name}' for '{mode.value}' fitting"
+                    )
+
                 experiment = experiments[expt_name]
                 dummy_experiments = Experiments()  # TODO: Find a better name
 
@@ -555,20 +680,64 @@ def fit(self):
                 # parameters can be resolved correctly during fitting.
                 object.__setattr__(dummy_experiments, '_parent', self.project)
 
-                dummy_experiments._add(experiment)
+                dummy_experiments.add(experiment)
                 self.fitter.fit(
-                    sample_models,
+                    structures,
                     dummy_experiments,
                     analysis=self,
+                    verbosity=verb,
                 )
+
+                # After fitting, snapshot parameter values before
+                # they get overwritten by the next experiment's fit
+                results = self.fitter.results
+                snapshot: dict[str, dict] = {}
+                for param in results.parameters:
+                    snapshot[param.unique_name] = {
+                        'value': param.value,
+                        'uncertainty': param.uncertainty,
+                        'units': param.units,
+                    }
+                self._parameter_snapshots[expt_name] = snapshot
+                self.fit_results = results
+
+                # Short mode: append one summary row and update in-place
+                if verb is VerbosityEnum.SHORT:
+                    chi2_str = (
+                        f'{results.reduced_chi_square:.2f}'
+                        if results.reduced_chi_square is not None
+                        else '—'
+                    )
+                    iters = str(self.fitter.minimizer.tracker.best_iteration or 0)
+                    status = '✅' if results.success else '❌'
+                    short_rows.append([expt_name, chi2_str, iters, status])
+                    render_table(
+                        columns_headers=short_headers,
+                        columns_alignment=short_alignments,
+                        columns_data=short_rows,
+                        display_handle=short_display_handle,
+                    )
+
+            # Short mode: close the display handle
+            if short_display_handle is not None and hasattr(short_display_handle, 'close'):
+                from contextlib import suppress
+
+                with suppress(Exception):
+                    short_display_handle.close()
+
         else:
-            raise NotImplementedError(f'Fit mode {self.fit_mode} not implemented yet.')
+            raise NotImplementedError(f'Fit mode {mode.value} not implemented yet.')
 
-        # After fitting, get the results
-        self.fit_results = self.fitter.results
+        # After fitting, save the project
+        # TODO: Consider saving individual data during sequential
+        #  (single) fitting, instead of waiting until the end and save
+        #  only the last one
+        if self.project.info.path is not None:
+            self.project.save()
 
     def show_fit_results(self) -> None:
-        """Display a summary of the fit results.
+        """
+        Display a summary of the fit results.
 
         Renders the fit quality metrics (reduced χ², R-factors) and a
         table of fitted parameters with their starting values, final
@@ -579,26 +748,28 @@ def show_fit_results(self) -> None:
 
         Example::
 
-            project.analysis.fit()
-            project.analysis.show_fit_results()
+        project.analysis.fit() project.analysis.show_fit_results()
         """
-        if not hasattr(self, 'fit_results') or self.fit_results is None:
+        if self.fit_results is None:
             log.warning('No fit results available. Run fit() first.')
             return
 
-        sample_models = self.project.sample_models
+        structures = self.project.structures
         experiments = self.project.experiments
 
-        self.fitter._process_fit_results(sample_models, experiments)
+        self.fitter._process_fit_results(structures, experiments)
 
-    def _update_categories(self, called_by_minimizer=False) -> None:
-        """Update all categories owned by Analysis.
+    def _update_categories(self, called_by_minimizer: bool = False) -> None:
+        """
+        Update all categories owned by Analysis.
 
         This ensures aliases and constraints are up-to-date before
         serialization or after parameter changes.
 
-        Args:
-            called_by_minimizer: Whether this is called during fitting.
+        Parameters
+        ----------
+        called_by_minimizer : bool, default=False
+            Whether this is called during fitting.
         """
         # Apply constraints to sync dependent parameters
         if self.constraints._items:
@@ -610,10 +781,13 @@ def _update_categories(self, called_by_minimizer=False) -> None:
             if hasattr(category, '_update'):
                 category._update(called_by_minimizer=called_by_minimizer)
 
-    def as_cif(self):
-        """Serialize the analysis section to a CIF string.
+    def as_cif(self) -> str:
+        """
+        Serialize the analysis section to a CIF string.
 
-        Returns:
+        Returns
+        -------
+        str
             The analysis section represented as a CIF document string.
         """
         from easydiffraction.io.cif.serialize import analysis_to_cif
@@ -622,9 +796,7 @@ def as_cif(self):
         return analysis_to_cif(self)
 
     def show_as_cif(self) -> None:
-        """Render the analysis section as CIF in a formatted console
-        view.
-        """
+        """Render the analysis section as CIF in console."""
         cif_text: str = self.as_cif()
         paragraph_title: str = 'Analysis 🧮 info as cif'
         console.paragraph(paragraph_title)
diff --git a/src/easydiffraction/analysis/calculators/__init__.py b/src/easydiffraction/analysis/calculators/__init__.py
index 429f2648..38bd1aa0 100644
--- a/src/easydiffraction/analysis/calculators/__init__.py
+++ b/src/easydiffraction/analysis/calculators/__init__.py
@@ -1,2 +1,6 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.analysis.calculators.crysfml import CrysfmlCalculator
+from easydiffraction.analysis.calculators.cryspy import CryspyCalculator
+from easydiffraction.analysis.calculators.pdffit import PdffitCalculator
diff --git a/src/easydiffraction/analysis/calculators/base.py b/src/easydiffraction/analysis/calculators/base.py
index 80c86a36..bd667ac8 100644
--- a/src/easydiffraction/analysis/calculators/base.py
+++ b/src/easydiffraction/analysis/calculators/base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from abc import ABC
@@ -6,9 +6,9 @@
 
 import numpy as np
 
-from easydiffraction.experiments.experiment.base import ExperimentBase
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
-from easydiffraction.sample_models.sample_models import SampleModels
+from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+from easydiffraction.datablocks.structure.collection import Structures
+from easydiffraction.datablocks.structure.item.base import Structure
 
 
 class CalculatorBase(ABC):
@@ -17,41 +17,48 @@ class CalculatorBase(ABC):
     @property
     @abstractmethod
     def name(self) -> str:
+        """Short identifier of the calculation engine."""
         pass
 
     @property
     @abstractmethod
     def engine_imported(self) -> bool:
+        """True if the underlying calculation library is available."""
         pass
 
     @abstractmethod
     def calculate_structure_factors(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
         experiment: ExperimentBase,
+        called_by_minimizer: bool,
     ) -> None:
-        """Calculate structure factors for a single sample model and
-        experiment.
-        """
+        """Calculate structure factors for one experiment."""
         pass
 
     @abstractmethod
     def calculate_pattern(
         self,
-        sample_model: SampleModels,  # TODO: SampleModelBase?
+        structure: Structures,  # TODO: Structure?
         experiment: ExperimentBase,
         called_by_minimizer: bool,
     ) -> np.ndarray:
-        """Calculate the diffraction pattern for a single sample model
-        and experiment.
+        """
+        Calculate diffraction pattern for one structure-experiment pair.
 
-        Args:
-            sample_model: The sample model object.
-            experiment: The experiment object.
-            called_by_minimizer: Whether the calculation is called by a
-                minimizer.
+        Parameters
+        ----------
+        structure : Structures
+            The structure object.
+        experiment : ExperimentBase
+            The experiment object.
+        called_by_minimizer : bool
+            Whether the calculation is called by a minimizer. Default is
+            False.
 
-        Returns:
+        Returns
+        -------
+        np.ndarray
             The calculated diffraction pattern as a NumPy array.
         """
         pass
diff --git a/src/easydiffraction/analysis/calculators/crysfml.py b/src/easydiffraction/analysis/calculators/crysfml.py
index babd3e08..34624e2b 100644
--- a/src/easydiffraction/analysis/calculators/crysfml.py
+++ b/src/easydiffraction/analysis/calculators/crysfml.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typing import Any
@@ -9,10 +9,12 @@
 import numpy as np
 
 from easydiffraction.analysis.calculators.base import CalculatorBase
-from easydiffraction.experiments.experiment.base import ExperimentBase
-from easydiffraction.experiments.experiments import Experiments
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
-from easydiffraction.sample_models.sample_models import SampleModels
+from easydiffraction.analysis.calculators.factory import CalculatorFactory
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.collection import Experiments
+from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+from easydiffraction.datablocks.structure.collection import Structures
+from easydiffraction.datablocks.structure.item.base import Structure
 
 try:
     from pycrysfml import cfml_py_utilities
@@ -27,53 +29,71 @@
     cfml_py_utilities = None
 
 
+@CalculatorFactory.register
 class CrysfmlCalculator(CalculatorBase):
     """Wrapper for Crysfml library."""
 
+    type_info = TypeInfo(
+        tag='crysfml',
+        description='CrysFML library for crystallographic calculations',
+    )
     engine_imported: bool = cfml_py_utilities is not None
 
     @property
     def name(self) -> str:
+        """Short identifier of this calculator engine."""
         return 'crysfml'
 
     def calculate_structure_factors(
         self,
-        sample_models: SampleModels,
+        structures: Structures,
         experiments: Experiments,
     ) -> None:
-        """Call Crysfml to calculate structure factors.
-
-        Args:
-            sample_models: The sample models to calculate structure
-                factors for.
-            experiments: The experiments associated with the sample
-                models.
+        """
+        Call Crysfml to calculate structure factors.
+
+        Parameters
+        ----------
+        structures : Structures
+            The structures to calculate structure factors for.
+        experiments : Experiments
+            The experiments associated with the sample models.
+
+        Raises
+        ------
+        NotImplementedError
+            HKL calculation is not implemented for CrysfmlCalculator.
         """
         raise NotImplementedError('HKL calculation is not implemented for CrysfmlCalculator.')
 
     def calculate_pattern(
         self,
-        sample_model: SampleModels,
+        structure: Structures,
         experiment: ExperimentBase,
         called_by_minimizer: bool = False,
     ) -> Union[np.ndarray, List[float]]:
-        """Calculates the diffraction pattern using Crysfml for the
-        given sample model and experiment.
-
-        Args:
-            sample_model: The sample model to calculate the pattern for.
-            experiment: The experiment associated with the sample model.
-            called_by_minimizer: Whether the calculation is called by a
-            minimizer.
-
-        Returns:
+        """
+        Calculate the diffraction pattern using Crysfml.
+
+        Parameters
+        ----------
+        structure : Structures
+            The structure to calculate the pattern for.
+        experiment : ExperimentBase
+            The experiment associated with the structure.
+        called_by_minimizer : bool, default=False
+            Whether the calculation is called by a minimizer.
+
+        Returns
+        -------
+        Union[np.ndarray, List[float]]
             The calculated diffraction pattern as a NumPy array or a
-                list of floats.
+            list of floats.
         """
         # Intentionally unused, required by public API/signature
         del called_by_minimizer
 
-        crysfml_dict = self._crysfml_dict(sample_model, experiment)
+        crysfml_dict = self._crysfml_dict(structure, experiment)
         try:
             _, y = cfml_py_utilities.cw_powder_pattern_from_dict(crysfml_dict)
             y = self._adjust_pattern_length(y, len(experiment.data.x))
@@ -87,13 +107,19 @@ def _adjust_pattern_length(
         pattern: List[float],
         target_length: int,
     ) -> List[float]:
-        """Adjusts the length of the pattern to match the target length.
-
-        Args:
-            pattern: The pattern to adjust.
-            target_length: The desired length of the pattern.
-
-        Returns:
+        """
+        Adjust the pattern length to match the target length.
+
+        Parameters
+        ----------
+        pattern : List[float]
+            The pattern to adjust.
+        target_length : int
+            The desired length of the pattern.
+
+        Returns
+        -------
+        List[float]
             The adjusted pattern.
         """
         # TODO: Check the origin of this discrepancy coming from
@@ -104,53 +130,62 @@ def _adjust_pattern_length(
 
     def _crysfml_dict(
         self,
-        sample_model: SampleModels,
+        structure: Structures,
         experiment: ExperimentBase,
-    ) -> Dict[str, Union[ExperimentBase, SampleModelBase]]:
-        """Converts the sample model and experiment into a dictionary
-        format for Crysfml.
-
-        Args:
-            sample_model: The sample model to convert.
-            experiment: The experiment to convert.
-
-        Returns:
-            A dictionary representation of the sample model and
-                experiment.
+    ) -> Dict[str, Union[ExperimentBase, Structure]]:
         """
-        sample_model_dict = self._convert_sample_model_to_dict(sample_model)
+        Convert structure and experiment into a Crysfml dictionary.
+
+        Parameters
+        ----------
+        structure : Structures
+            The structure to convert.
+        experiment : ExperimentBase
+            The experiment to convert.
+
+        Returns
+        -------
+        Dict[str, Union[ExperimentBase, Structure]]
+            A dictionary representation of the structure and experiment.
+        """
+        structure_dict = self._convert_structure_to_dict(structure)
         experiment_dict = self._convert_experiment_to_dict(experiment)
         return {
-            'phases': [sample_model_dict],
+            'phases': [structure_dict],
             'experiments': [experiment_dict],
         }
 
-    def _convert_sample_model_to_dict(
+    def _convert_structure_to_dict(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
     ) -> Dict[str, Any]:
-        """Converts a sample model into a dictionary format.
+        """
+        Convert a structure into a dictionary format.
 
-        Args:
-            sample_model: The sample model to convert.
+        Parameters
+        ----------
+        structure : Structure
+            The structure to convert.
 
-        Returns:
-            A dictionary representation of the sample model.
+        Returns
+        -------
+        Dict[str, Any]
+            A dictionary representation of the structure.
         """
-        sample_model_dict = {
-            sample_model.name: {
-                '_space_group_name_H-M_alt': sample_model.space_group.name_h_m.value,
-                '_cell_length_a': sample_model.cell.length_a.value,
-                '_cell_length_b': sample_model.cell.length_b.value,
-                '_cell_length_c': sample_model.cell.length_c.value,
-                '_cell_angle_alpha': sample_model.cell.angle_alpha.value,
-                '_cell_angle_beta': sample_model.cell.angle_beta.value,
-                '_cell_angle_gamma': sample_model.cell.angle_gamma.value,
+        structure_dict = {
+            structure.name: {
+                '_space_group_name_H-M_alt': structure.space_group.name_h_m.value,
+                '_cell_length_a': structure.cell.length_a.value,
+                '_cell_length_b': structure.cell.length_b.value,
+                '_cell_length_c': structure.cell.length_c.value,
+                '_cell_angle_alpha': structure.cell.angle_alpha.value,
+                '_cell_angle_beta': structure.cell.angle_beta.value,
+                '_cell_angle_gamma': structure.cell.angle_gamma.value,
                 '_atom_site': [],
             }
         }
 
-        for atom in sample_model.atom_sites:
+        for atom in structure.atom_sites:
             atom_site = {
                 '_label': atom.label.value,
                 '_type_symbol': atom.type_symbol.value,
@@ -161,20 +196,25 @@ def _convert_sample_model_to_dict(
                 '_adp_type': 'Biso',  # Assuming Biso for simplicity
                 '_B_iso_or_equiv': atom.b_iso.value,
             }
-            sample_model_dict[sample_model.name]['_atom_site'].append(atom_site)
+            structure_dict[structure.name]['_atom_site'].append(atom_site)
 
-        return sample_model_dict
+        return structure_dict
 
     def _convert_experiment_to_dict(
         self,
         experiment: ExperimentBase,
     ) -> Dict[str, Any]:
-        """Converts an experiment into a dictionary format.
+        """
+        Convert an experiment into a dictionary format.
 
-        Args:
-            experiment: The experiment to convert.
+        Parameters
+        ----------
+        experiment : ExperimentBase
+            The experiment to convert.
 
-        Returns:
+        Returns
+        -------
+        Dict[str, Any]
             A dictionary representation of the experiment.
         """
         expt_type = getattr(experiment, 'type', None)
diff --git a/src/easydiffraction/analysis/calculators/cryspy.py b/src/easydiffraction/analysis/calculators/cryspy.py
index 18e7858d..b6a0e4d6 100644
--- a/src/easydiffraction/analysis/calculators/cryspy.py
+++ b/src/easydiffraction/analysis/calculators/cryspy.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import contextlib
@@ -12,9 +12,12 @@
 import numpy as np
 
 from easydiffraction.analysis.calculators.base import CalculatorBase
-from easydiffraction.experiments.experiment.base import ExperimentBase
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
+from easydiffraction.analysis.calculators.factory import CalculatorFactory
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.structure.item.base import Structure
 
 try:
     import cryspy
@@ -30,17 +33,24 @@
     cryspy = None
 
 
+@CalculatorFactory.register
 class CryspyCalculator(CalculatorBase):
-    """Cryspy-based diffraction calculator.
+    """
+    Cryspy-based diffraction calculator.
 
     Converts EasyDiffraction models into Cryspy objects and computes
     patterns.
     """
 
+    type_info = TypeInfo(
+        tag='cryspy',
+        description='CrysPy library for crystallographic calculations',
+    )
     engine_imported: bool = cryspy is not None
 
     @property
     def name(self) -> str:
+        """Short identifier of this calculator engine."""
         return 'cryspy'
 
     def __init__(self) -> None:
@@ -49,55 +59,102 @@ def __init__(self) -> None:
 
     def calculate_structure_factors(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
         experiment: ExperimentBase,
+        called_by_minimizer: bool = False,
     ) -> None:
-        """Raises a NotImplementedError as HKL calculation is not
-        implemented.
-
-        Args:
-            sample_model: The sample model to calculate structure
-                factors for.
-            experiment: The experiment associated with the sample
-                models.
         """
-        raise NotImplementedError('HKL calculation is not implemented for CryspyCalculator.')
+        Raise NotImplementedError as HKL calculation is not implemented.
+
+        Parameters
+        ----------
+        structure : Structure
+            The structure to calculate structure factors for.
+        experiment : ExperimentBase
+            The experiment associated with the sample models.
+        called_by_minimizer : bool, default=False
+            Whether the calculation is called by a minimizer.
+        """
+        combined_name = f'{structure.name}_{experiment.name}'
+
+        if called_by_minimizer:
+            if self._cryspy_dicts and combined_name in self._cryspy_dicts:
+                cryspy_dict = self._recreate_cryspy_dict(structure, experiment)
+            else:
+                cryspy_obj = self._recreate_cryspy_obj(structure, experiment)
+                cryspy_dict = cryspy_obj.get_dictionary()
+        else:
+            cryspy_obj = self._recreate_cryspy_obj(structure, experiment)
+            cryspy_dict = cryspy_obj.get_dictionary()
+
+        self._cryspy_dicts[combined_name] = copy.deepcopy(cryspy_dict)
+
+        cryspy_in_out_dict: Dict[str, Any] = {}
+
+        # Calculate the pattern using Cryspy
+        # TODO: Redirect stderr to suppress Cryspy warnings.
+        #  This is a temporary solution to avoid cluttering the output.
+        #  E.g. cryspy/A_functions_base/powder_diffraction_tof.py:106:
+        #  RuntimeWarning: overflow encountered in exp
+        #  Remove this when Cryspy is updated to handle warnings better.
+        with contextlib.redirect_stderr(io.StringIO()):
+            rhochi_calc_chi_sq_by_dictionary(
+                cryspy_dict,
+                dict_in_out=cryspy_in_out_dict,
+                flag_use_precalculated_data=False,
+                flag_calc_analytical_derivatives=False,
+            )
+
+        cryspy_block_name = f'diffrn_{experiment.name}'
+
+        try:
+            y_calc = cryspy_in_out_dict[cryspy_block_name]['intensity_calc']
+            stol = cryspy_in_out_dict[cryspy_block_name]['sthovl']
+        except KeyError:
+            print(f'[CryspyCalculator] Error: No calculated data for {cryspy_block_name}')
+            return [], []
+
+        return stol, y_calc
 
     def calculate_pattern(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
         experiment: ExperimentBase,
         called_by_minimizer: bool = False,
     ) -> Union[np.ndarray, List[float]]:
-        """Calculates the diffraction pattern using Cryspy for the given
-        sample model and experiment.
-
-        We only recreate the cryspy_obj if this method is
-         - NOT called by the minimizer, or
-         - the cryspy_dict is NOT yet created.
-        In other cases, we are modifying the existing cryspy_dict
-        This allows significantly speeding up the calculation
-
-        Args:
-            sample_model: The sample model to calculate the pattern for.
-            experiment: The experiment associated with the sample model.
-            called_by_minimizer: Whether the calculation is called by a
-            minimizer.
-
-        Returns:
+        """
+        Calculate the diffraction pattern using Cryspy.
+
+        We only recreate the cryspy_obj if this method is - NOT called
+        by the minimizer, or - the cryspy_dict is NOT yet created. In
+        other cases, we are modifying the existing cryspy_dict This
+        allows significantly speeding up the calculation
+
+        Parameters
+        ----------
+        structure : Structure
+            The structure to calculate the pattern for.
+        experiment : ExperimentBase
+            The experiment associated with the structure.
+        called_by_minimizer : bool, default=False
+            Whether the calculation is called by a minimizer.
+
+        Returns
+        -------
+        Union[np.ndarray, List[float]]
             The calculated diffraction pattern as a NumPy array or a
-                list of floats.
+            list of floats.
         """
-        combined_name = f'{sample_model.name}_{experiment.name}'
+        combined_name = f'{structure.name}_{experiment.name}'
 
         if called_by_minimizer:
             if self._cryspy_dicts and combined_name in self._cryspy_dicts:
-                cryspy_dict = self._recreate_cryspy_dict(sample_model, experiment)
+                cryspy_dict = self._recreate_cryspy_dict(structure, experiment)
             else:
-                cryspy_obj = self._recreate_cryspy_obj(sample_model, experiment)
+                cryspy_obj = self._recreate_cryspy_obj(structure, experiment)
                 cryspy_dict = cryspy_obj.get_dictionary()
         else:
-            cryspy_obj = self._recreate_cryspy_obj(sample_model, experiment)
+            cryspy_obj = self._recreate_cryspy_obj(structure, experiment)
             cryspy_dict = cryspy_obj.get_dictionary()
 
         self._cryspy_dicts[combined_name] = copy.deepcopy(cryspy_dict)
@@ -141,126 +198,153 @@ def calculate_pattern(
 
     def _recreate_cryspy_dict(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
         experiment: ExperimentBase,
     ) -> Dict[str, Any]:
-        """Recreates the Cryspy dictionary for the given sample model
-        and experiment.
-
-        Args:
-            sample_model: The sample model to update.
-            experiment: The experiment to update.
-
-        Returns:
+        """
+        Recreate the Cryspy dictionary for structure and experiment.
+
+        Parameters
+        ----------
+        structure : Structure
+            The structure to update.
+        experiment : ExperimentBase
+            The experiment to update.
+
+        Returns
+        -------
+        Dict[str, Any]
             The updated Cryspy dictionary.
         """
-        combined_name = f'{sample_model.name}_{experiment.name}'
+        combined_name = f'{structure.name}_{experiment.name}'
         cryspy_dict = copy.deepcopy(self._cryspy_dicts[combined_name])
 
-        cryspy_model_id = f'crystal_{sample_model.name}'
+        cryspy_model_id = f'crystal_{structure.name}'
         cryspy_model_dict = cryspy_dict[cryspy_model_id]
 
-        # Update sample model parameters
+        ################################
+        # Update structure parameters
+        ################################
 
         # Cell
         cryspy_cell = cryspy_model_dict['unit_cell_parameters']
-        cryspy_cell[0] = sample_model.cell.length_a.value
-        cryspy_cell[1] = sample_model.cell.length_b.value
-        cryspy_cell[2] = sample_model.cell.length_c.value
-        cryspy_cell[3] = np.deg2rad(sample_model.cell.angle_alpha.value)
-        cryspy_cell[4] = np.deg2rad(sample_model.cell.angle_beta.value)
-        cryspy_cell[5] = np.deg2rad(sample_model.cell.angle_gamma.value)
+        cryspy_cell[0] = structure.cell.length_a.value
+        cryspy_cell[1] = structure.cell.length_b.value
+        cryspy_cell[2] = structure.cell.length_c.value
+        cryspy_cell[3] = np.deg2rad(structure.cell.angle_alpha.value)
+        cryspy_cell[4] = np.deg2rad(structure.cell.angle_beta.value)
+        cryspy_cell[5] = np.deg2rad(structure.cell.angle_gamma.value)
 
         # Atomic coordinates
         cryspy_xyz = cryspy_model_dict['atom_fract_xyz']
-        for idx, atom_site in enumerate(sample_model.atom_sites):
+        for idx, atom_site in enumerate(structure.atom_sites):
             cryspy_xyz[0][idx] = atom_site.fract_x.value
             cryspy_xyz[1][idx] = atom_site.fract_y.value
             cryspy_xyz[2][idx] = atom_site.fract_z.value
 
         # Atomic occupancies
         cryspy_occ = cryspy_model_dict['atom_occupancy']
-        for idx, atom_site in enumerate(sample_model.atom_sites):
+        for idx, atom_site in enumerate(structure.atom_sites):
             cryspy_occ[idx] = atom_site.occupancy.value
 
         # Atomic ADPs - Biso only for now
         cryspy_biso = cryspy_model_dict['atom_b_iso']
-        for idx, atom_site in enumerate(sample_model.atom_sites):
+        for idx, atom_site in enumerate(structure.atom_sites):
             cryspy_biso[idx] = atom_site.b_iso.value
 
+        ##############################
         # Update experiment parameters
-
-        if experiment.type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
-            cryspy_expt_name = f'pd_{experiment.name}'
+        ##############################
+
+        if experiment.type.sample_form.value == SampleFormEnum.POWDER:
+            if experiment.type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+                cryspy_expt_name = f'pd_{experiment.name}'
+                cryspy_expt_dict = cryspy_dict[cryspy_expt_name]
+
+                # Instrument
+                cryspy_expt_dict['offset_ttheta'][0] = np.deg2rad(
+                    experiment.instrument.calib_twotheta_offset.value
+                )
+                cryspy_expt_dict['wavelength'][0] = experiment.instrument.setup_wavelength.value
+
+                # Peak
+                cryspy_resolution = cryspy_expt_dict['resolution_parameters']
+                cryspy_resolution[0] = experiment.peak.broad_gauss_u.value
+                cryspy_resolution[1] = experiment.peak.broad_gauss_v.value
+                cryspy_resolution[2] = experiment.peak.broad_gauss_w.value
+                cryspy_resolution[3] = experiment.peak.broad_lorentz_x.value
+                cryspy_resolution[4] = experiment.peak.broad_lorentz_y.value
+
+            elif experiment.type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+                cryspy_expt_name = f'tof_{experiment.name}'
+                cryspy_expt_dict = cryspy_dict[cryspy_expt_name]
+
+                # Instrument
+                cryspy_expt_dict['zero'][0] = experiment.instrument.calib_d_to_tof_offset.value
+                cryspy_expt_dict['dtt1'][0] = experiment.instrument.calib_d_to_tof_linear.value
+                cryspy_expt_dict['dtt2'][0] = experiment.instrument.calib_d_to_tof_quad.value
+                cryspy_expt_dict['ttheta_bank'] = np.deg2rad(
+                    experiment.instrument.setup_twotheta_bank.value
+                )
+
+                # Peak
+                cryspy_sigma = cryspy_expt_dict['profile_sigmas']
+                cryspy_sigma[0] = experiment.peak.broad_gauss_sigma_0.value
+                cryspy_sigma[1] = experiment.peak.broad_gauss_sigma_1.value
+                cryspy_sigma[2] = experiment.peak.broad_gauss_sigma_2.value
+
+                cryspy_beta = cryspy_expt_dict['profile_betas']
+                cryspy_beta[0] = experiment.peak.broad_mix_beta_0.value
+                cryspy_beta[1] = experiment.peak.broad_mix_beta_1.value
+
+                cryspy_alpha = cryspy_expt_dict['profile_alphas']
+                cryspy_alpha[0] = experiment.peak.asym_alpha_0.value
+                cryspy_alpha[1] = experiment.peak.asym_alpha_1.value
+
+        if experiment.type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
+            cryspy_expt_name = f'diffrn_{experiment.name}'
             cryspy_expt_dict = cryspy_dict[cryspy_expt_name]
 
             # Instrument
-            cryspy_expt_dict['offset_ttheta'][0] = np.deg2rad(
-                experiment.instrument.calib_twotheta_offset.value
-            )
-            cryspy_expt_dict['wavelength'][0] = experiment.instrument.setup_wavelength.value
-
-            # Peak
-            cryspy_resolution = cryspy_expt_dict['resolution_parameters']
-            cryspy_resolution[0] = experiment.peak.broad_gauss_u.value
-            cryspy_resolution[1] = experiment.peak.broad_gauss_v.value
-            cryspy_resolution[2] = experiment.peak.broad_gauss_w.value
-            cryspy_resolution[3] = experiment.peak.broad_lorentz_x.value
-            cryspy_resolution[4] = experiment.peak.broad_lorentz_y.value
-
-        elif experiment.type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
-            cryspy_expt_name = f'tof_{experiment.name}'
-            cryspy_expt_dict = cryspy_dict[cryspy_expt_name]
-
-            # Instrument
-            cryspy_expt_dict['zero'][0] = experiment.instrument.calib_d_to_tof_offset.value
-            cryspy_expt_dict['dtt1'][0] = experiment.instrument.calib_d_to_tof_linear.value
-            cryspy_expt_dict['dtt2'][0] = experiment.instrument.calib_d_to_tof_quad.value
-            cryspy_expt_dict['ttheta_bank'] = np.deg2rad(
-                experiment.instrument.setup_twotheta_bank.value
-            )
-
-            # Peak
-            cryspy_sigma = cryspy_expt_dict['profile_sigmas']
-            cryspy_sigma[0] = experiment.peak.broad_gauss_sigma_0.value
-            cryspy_sigma[1] = experiment.peak.broad_gauss_sigma_1.value
-            cryspy_sigma[2] = experiment.peak.broad_gauss_sigma_2.value
+            if experiment.type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+                cryspy_expt_dict['wavelength'][0] = experiment.instrument.setup_wavelength.value
 
-            cryspy_beta = cryspy_expt_dict['profile_betas']
-            cryspy_beta[0] = experiment.peak.broad_mix_beta_0.value
-            cryspy_beta[1] = experiment.peak.broad_mix_beta_1.value
-
-            cryspy_alpha = cryspy_expt_dict['profile_alphas']
-            cryspy_alpha[0] = experiment.peak.asym_alpha_0.value
-            cryspy_alpha[1] = experiment.peak.asym_alpha_1.value
+            # Extinction
+            cryspy_expt_dict['extinction_radius'][0] = experiment.extinction.radius.value
+            cryspy_expt_dict['extinction_mosaicity'][0] = experiment.extinction.mosaicity.value
 
         return cryspy_dict
 
     def _recreate_cryspy_obj(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
         experiment: ExperimentBase,
-    ) -> Any:
-        """Recreates the Cryspy object for the given sample model and
-        experiment.
-
-        Args:
-            sample_model: The sample model to recreate.
-            experiment: The experiment to recreate.
-
-        Returns:
+    ) -> object:
+        """
+        Recreate the Cryspy object for structure and experiment.
+
+        Parameters
+        ----------
+        structure : Structure
+            The structure to recreate.
+        experiment : ExperimentBase
+            The experiment to recreate.
+
+        Returns
+        -------
+        object
             The recreated Cryspy object.
         """
         cryspy_obj = str_to_globaln('')
 
-        cryspy_sample_model_cif = self._convert_sample_model_to_cryspy_cif(sample_model)
-        cryspy_sample_model_obj = str_to_globaln(cryspy_sample_model_cif)
-        cryspy_obj.add_items(cryspy_sample_model_obj.items)
+        cryspy_structure_cif = self._convert_structure_to_cryspy_cif(structure)
+        cryspy_structure_obj = str_to_globaln(cryspy_structure_cif)
+        cryspy_obj.add_items(cryspy_structure_obj.items)
 
         # Add single experiment to cryspy_obj
         cryspy_experiment_cif = self._convert_experiment_to_cryspy_cif(
             experiment,
-            linked_phase=sample_model,
+            linked_structure=structure,
         )
 
         cryspy_experiment_obj = str_to_globaln(cryspy_experiment_cif)
@@ -268,41 +352,55 @@ def _recreate_cryspy_obj(
 
         return cryspy_obj
 
-    def _convert_sample_model_to_cryspy_cif(
+    def _convert_structure_to_cryspy_cif(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
     ) -> str:
-        """Converts a sample model to a Cryspy CIF string.
+        """
+        Convert a structure to a Cryspy CIF string.
 
-        Args:
-            sample_model: The sample model to convert.
+        Parameters
+        ----------
+        structure : Structure
+            The structure to convert.
 
-        Returns:
-            The Cryspy CIF string representation of the sample model.
+        Returns
+        -------
+        str
+            The Cryspy CIF string representation of the structure.
         """
-        return sample_model.as_cif
+        return structure.as_cif
 
     def _convert_experiment_to_cryspy_cif(
         self,
         experiment: ExperimentBase,
-        linked_phase: Any,
+        linked_structure: object,
     ) -> str:
-        """Converts an experiment to a Cryspy CIF string.
-
-        Args:
-            experiment: The experiment to convert.
-            linked_phase: The linked phase associated with the
-                experiment.
-
-        Returns:
+        """
+        Convert an experiment to a Cryspy CIF string.
+
+        Parameters
+        ----------
+        experiment : ExperimentBase
+            The experiment to convert.
+        linked_structure : object
+            The structure linked to the experiment.
+
+        Returns
+        -------
+        str
             The Cryspy CIF string representation of the experiment.
         """
+        # Try to get experiment attributes
         expt_type = getattr(experiment, 'type', None)
         instrument = getattr(experiment, 'instrument', None)
         peak = getattr(experiment, 'peak', None)
+        extinction = getattr(experiment, 'extinction', None)
 
+        # Add experiment datablock name
         cif_lines = [f'data_{experiment.name}']
 
+        # Add experiment type attribute dat
         if expt_type is not None:
             cif_lines.append('')
             radiation_probe = expt_type.radiation_probe.value
@@ -310,22 +408,39 @@ def _convert_experiment_to_cryspy_cif(
             radiation_probe = radiation_probe.replace('xray', 'X-rays')
             cif_lines.append(f'_setup_radiation {radiation_probe}')
 
+        # Add instrument attribute data
         if instrument:
             # Restrict to only attributes relevant for the beam mode to
             # avoid probing non-existent guarded attributes (which
             # triggers diagnostics).
             if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
-                instrument_mapping = {
-                    'setup_wavelength': '_setup_wavelength',
-                    'calib_twotheta_offset': '_setup_offset_2theta',
-                }
+                if expt_type.sample_form.value == SampleFormEnum.POWDER:
+                    instrument_mapping = {
+                        'setup_wavelength': '_setup_wavelength',
+                        'calib_twotheta_offset': '_setup_offset_2theta',
+                    }
+                elif expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
+                    instrument_mapping = {
+                        'setup_wavelength': '_setup_wavelength',
+                    }
+                    # Add dummy 0.0 value for _setup_field required by
+                    # Cryspy
+                    cif_lines.append('')
+                    cif_lines.append('_setup_field 0.0')
             elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
-                instrument_mapping = {
-                    'setup_twotheta_bank': '_tof_parameters_2theta_bank',
-                    'calib_d_to_tof_offset': '_tof_parameters_Zero',
-                    'calib_d_to_tof_linear': '_tof_parameters_Dtt1',
-                    'calib_d_to_tof_quad': '_tof_parameters_dtt2',
-                }
+                if expt_type.sample_form.value == SampleFormEnum.POWDER:
+                    instrument_mapping = {
+                        'setup_twotheta_bank': '_tof_parameters_2theta_bank',
+                        'calib_d_to_tof_offset': '_tof_parameters_Zero',
+                        'calib_d_to_tof_linear': '_tof_parameters_Dtt1',
+                        'calib_d_to_tof_quad': '_tof_parameters_dtt2',
+                    }
+                elif expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
+                    instrument_mapping = {}  # TODO: Check this mapping!
+                    # Add dummy 0.0 value for _setup_field required by
+                    # Cryspy
+                    cif_lines.append('')
+                    cif_lines.append('_setup_field 0.0')
             cif_lines.append('')
             for local_attr_name, engine_key_name in instrument_mapping.items():
                 # attr_obj = instrument.__dict__.get(local_attr_name)
@@ -333,6 +448,7 @@ def _convert_experiment_to_cryspy_cif(
                 if attr_obj is not None:
                     cif_lines.append(f'{engine_key_name} {attr_obj.value}')
 
+        # Add peak attribute data
         if peak:
             if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
                 peak_mapping = {
@@ -360,57 +476,140 @@ def _convert_experiment_to_cryspy_cif(
                 if attr_obj is not None:
                     cif_lines.append(f'{engine_key_name} {attr_obj.value}')
 
-        x_data = experiment.data.x
-        twotheta_min = f'{np.round(x_data.min(), 5):.5f}'  # float(x_data.min())
-        twotheta_max = f'{np.round(x_data.max(), 5):.5f}'  # float(x_data.max())
-        cif_lines.append('')
-        if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
-            cif_lines.append(f'_range_2theta_min {twotheta_min}')
-            cif_lines.append(f'_range_2theta_max {twotheta_max}')
-        elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
-            cif_lines.append(f'_range_time_min {twotheta_min}')
-            cif_lines.append(f'_range_time_max {twotheta_max}')
-
-        cif_lines.append('')
-        cif_lines.append('loop_')
-        cif_lines.append('_phase_label')
-        cif_lines.append('_phase_scale')
-        cif_lines.append(f'{linked_phase.name} 1.0')
-
-        if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+        # Add extinction attribute data
+        if extinction and expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
+            extinction_mapping = {
+                'mosaicity': '_extinction_mosaicity',
+                'radius': '_extinction_radius',
+            }
             cif_lines.append('')
-            cif_lines.append('loop_')
-            cif_lines.append('_pd_background_2theta')
-            cif_lines.append('_pd_background_intensity')
-            cif_lines.append(f'{twotheta_min} 0.0')
-            cif_lines.append(f'{twotheta_max} 0.0')
-        elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+            cif_lines.append('_extinction_model gauss')
+            for local_attr_name, engine_key_name in extinction_mapping.items():
+                attr_obj = getattr(extinction, local_attr_name)
+                if attr_obj is not None:
+                    cif_lines.append(f'{engine_key_name} {attr_obj.value}')
+
+        # Add range data
+        if expt_type.sample_form.value == SampleFormEnum.POWDER:
+            x_data = experiment.data.x
+            twotheta_min = f'{np.round(x_data.min(), 5):.5f}'  # float(x_data.min())
+            twotheta_max = f'{np.round(x_data.max(), 5):.5f}'  # float(x_data.max())
             cif_lines.append('')
-            cif_lines.append('loop_')
-            cif_lines.append('_tof_backgroundpoint_time')
-            cif_lines.append('_tof_backgroundpoint_intensity')
-            cif_lines.append(f'{twotheta_min} 0.0')
-            cif_lines.append(f'{twotheta_max} 0.0')
+            if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+                cif_lines.append(f'_range_2theta_min {twotheta_min}')
+                cif_lines.append(f'_range_2theta_max {twotheta_max}')
+            elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+                cif_lines.append(f'_range_time_min {twotheta_min}')
+                cif_lines.append(f'_range_time_max {twotheta_max}')
 
-        if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+        # Add orientation matrix data
+        # Hardcoded example values for now, as we don't use them yet,
+        # but Cryspy requires them for single crystal data.
+        if expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
             cif_lines.append('')
-            cif_lines.append('loop_')
-            cif_lines.append('_pd_meas_2theta')
-            cif_lines.append('_pd_meas_intensity')
-            cif_lines.append('_pd_meas_intensity_sigma')
-        elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+            cif_lines.append('_diffrn_orient_matrix_type CCSL')
+            cif_lines.append('_diffrn_orient_matrix_ub_11 -0.088033')
+            cif_lines.append('_diffrn_orient_matrix_ub_12 -0.088004')
+            cif_lines.append('_diffrn_orient_matrix_ub_13  0.069970')
+            cif_lines.append('_diffrn_orient_matrix_ub_21  0.034058')
+            cif_lines.append('_diffrn_orient_matrix_ub_22 -0.188170')
+            cif_lines.append('_diffrn_orient_matrix_ub_23 -0.013039')
+            cif_lines.append('_diffrn_orient_matrix_ub_31  0.223600')
+            cif_lines.append('_diffrn_orient_matrix_ub_32  0.125751')
+            cif_lines.append('_diffrn_orient_matrix_ub_33  0.029490')
+
+        # Add phase data
+        if expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
+            cif_lines.append('')
+            cif_lines.append(f'_phase_label {linked_structure.name}')
+            cif_lines.append('_phase_scale 1.0')
+        elif expt_type.sample_form.value == SampleFormEnum.POWDER:
             cif_lines.append('')
             cif_lines.append('loop_')
-            cif_lines.append('_tof_meas_time')
-            cif_lines.append('_tof_meas_intensity')
-            cif_lines.append('_tof_meas_intensity_sigma')
-
-        y_data: np.ndarray = experiment.data.meas
-        sy_data: np.ndarray = experiment.data.meas_su
-
-        for x_val, y_val, sy_val in zip(x_data, y_data, sy_data, strict=True):
-            cif_lines.append(f'  {x_val:.5f}   {y_val:.5f}   {sy_val:.5f}')
+            cif_lines.append('_phase_label')
+            cif_lines.append('_phase_scale')
+            cif_lines.append(f'{linked_structure.name} 1.0')
 
+        # Add background data
+        if expt_type.sample_form.value == SampleFormEnum.POWDER:
+            if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+                cif_lines.append('')
+                cif_lines.append('loop_')
+                cif_lines.append('_pd_background_2theta')
+                cif_lines.append('_pd_background_intensity')
+                cif_lines.append(f'{twotheta_min} 0.0')
+                cif_lines.append(f'{twotheta_max} 0.0')
+            elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+                cif_lines.append('')
+                cif_lines.append('loop_')
+                cif_lines.append('_tof_backgroundpoint_time')  # TODO: !!!!????
+                cif_lines.append('_tof_backgroundpoint_intensity')  # TODO: !!!!????
+                cif_lines.append(f'{twotheta_min} 0.0')  # TODO: !!!!????
+                cif_lines.append(f'{twotheta_max} 0.0')  # TODO: !!!!????
+
+        # Add measured data: Single crystal
+        if expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
+            if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+                cif_lines.append('')
+                cif_lines.append('loop_')
+                cif_lines.append('_diffrn_refln_index_h')
+                cif_lines.append('_diffrn_refln_index_k')
+                cif_lines.append('_diffrn_refln_index_l')
+                cif_lines.append('_diffrn_refln_intensity')
+                cif_lines.append('_diffrn_refln_intensity_sigma')
+                indices_h: np.ndarray = experiment.data.index_h
+                indices_k: np.ndarray = experiment.data.index_k
+                indices_l: np.ndarray = experiment.data.index_l
+                y_data: np.ndarray = experiment.data.intensity_meas
+                sy_data: np.ndarray = experiment.data.intensity_meas_su
+                for index_h, index_k, index_l, y_val, sy_val in zip(
+                    indices_h, indices_k, indices_l, y_data, sy_data, strict=True
+                ):
+                    cif_lines.append(
+                        f'{index_h:4.0f}{index_k:4.0f}{index_l:4.0f}   {y_val:.5f}   {sy_val:.5f}'
+                    )
+            elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+                cif_lines.append('')
+                cif_lines.append('loop_')
+                cif_lines.append('_diffrn_refln_index_h')
+                cif_lines.append('_diffrn_refln_index_k')
+                cif_lines.append('_diffrn_refln_index_l')
+                cif_lines.append('_diffrn_refln_intensity')
+                cif_lines.append('_diffrn_refln_intensity_sigma')
+                cif_lines.append('_diffrn_refln_wavelength')
+                indices_h: np.ndarray = experiment.data.index_h
+                indices_k: np.ndarray = experiment.data.index_k
+                indices_l: np.ndarray = experiment.data.index_l
+                y_data: np.ndarray = experiment.data.intensity_meas
+                sy_data: np.ndarray = experiment.data.intensity_meas_su
+                wl_data: np.ndarray = experiment.data.wavelength
+                for index_h, index_k, index_l, y_val, sy_val, wl_val in zip(
+                    indices_h, indices_k, indices_l, y_data, sy_data, wl_data, strict=True
+                ):
+                    cif_lines.append(
+                        f'{index_h:4.0f}{index_k:4.0f}{index_l:4.0f}   {y_val:.5f}   '
+                        f'{sy_val:.5f}   {wl_val:.5f}'
+                    )
+        # Add measured data: Powder
+        elif expt_type.sample_form.value == SampleFormEnum.POWDER:
+            if expt_type.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH:
+                cif_lines.append('')
+                cif_lines.append('loop_')
+                cif_lines.append('_pd_meas_2theta')
+                cif_lines.append('_pd_meas_intensity')
+                cif_lines.append('_pd_meas_intensity_sigma')
+            elif expt_type.beam_mode.value == BeamModeEnum.TIME_OF_FLIGHT:
+                cif_lines.append('')
+                cif_lines.append('loop_')
+                cif_lines.append('_tof_meas_time')
+                cif_lines.append('_tof_meas_intensity')
+                cif_lines.append('_tof_meas_intensity_sigma')
+            y_data: np.ndarray = experiment.data.intensity_meas
+            sy_data: np.ndarray = experiment.data.intensity_meas_su
+            for x_val, y_val, sy_val in zip(x_data, y_data, sy_data, strict=True):
+                cif_lines.append(f'  {x_val:.5f}   {y_val:.5f}   {sy_val:.5f}')
+
+        # Combine all lines into a single CIF string
         cryspy_experiment_cif = '\n'.join(cif_lines)
 
         return cryspy_experiment_cif
diff --git a/src/easydiffraction/analysis/calculators/factory.py b/src/easydiffraction/analysis/calculators/factory.py
index 79b4eba9..f9860f81 100644
--- a/src/easydiffraction/analysis/calculators/factory.py
+++ b/src/easydiffraction/analysis/calculators/factory.py
@@ -1,105 +1,40 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
+"""
+Calculator factory — delegates to ``FactoryBase``.
+
+Overrides ``_supported_map`` to filter out calculators whose engines are
+not importable in the current environment.
+"""
+
+from __future__ import annotations
 
 from typing import Dict
-from typing import List
-from typing import Optional
 from typing import Type
-from typing import Union
 
-from easydiffraction.analysis.calculators.base import CalculatorBase
-from easydiffraction.analysis.calculators.crysfml import CrysfmlCalculator
-from easydiffraction.analysis.calculators.cryspy import CryspyCalculator
-from easydiffraction.analysis.calculators.pdffit import PdffitCalculator
-from easydiffraction.utils.logging import console
-from easydiffraction.utils.logging import log
-from easydiffraction.utils.utils import render_table
+from easydiffraction.core.factory import FactoryBase
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
 
 
-class CalculatorFactory:
-    """Factory for creating calculation engine instances.
+class CalculatorFactory(FactoryBase):
+    """
+    Factory for creating calculation engine instances.
 
-    The factory exposes discovery helpers to list and show available
-    calculators in the current environment and a creator that returns an
-    instantiated calculator or ``None`` if the requested one is not
-    available.
+    Only calculators whose ``engine_imported`` flag is ``True`` are
+    available for creation.
     """
 
-    _potential_calculators: Dict[str, Dict[str, Union[str, Type[CalculatorBase]]]] = {
-        'crysfml': {
-            'description': 'CrysFML library for crystallographic calculations',
-            'class': CrysfmlCalculator,
-        },
-        'cryspy': {
-            'description': 'CrysPy library for crystallographic calculations',
-            'class': CryspyCalculator,
-        },
-        'pdffit': {
-            'description': 'PDFfit2 library for pair distribution function calculations',
-            'class': PdffitCalculator,
-        },
+    _default_rules = {
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+        }): CalculatorEnum.CRYSPY,
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.TOTAL),
+        }): CalculatorEnum.PDFFIT,
     }
 
     @classmethod
-    def _supported_calculators(
-        cls,
-    ) -> Dict[str, Dict[str, Union[str, Type[CalculatorBase]]]]:
-        """Return calculators whose engines are importable.
-
-        This filters the list of potential calculators by instantiating
-        their classes and checking the ``engine_imported`` property.
-
-        Returns:
-            Mapping from calculator name to its config dict.
-        """
-        return {
-            name: cfg
-            for name, cfg in cls._potential_calculators.items()
-            if cfg['class']().engine_imported  # instantiate and check the @property
-        }
-
-    @classmethod
-    def list_supported_calculators(cls) -> List[str]:
-        """List names of calculators available in the environment.
-
-        Returns:
-            List of calculator identifiers, e.g. ``["crysfml", ...]``.
-        """
-        return list(cls._supported_calculators().keys())
-
-    @classmethod
-    def show_supported_calculators(cls) -> None:
-        """Pretty-print supported calculators and their descriptions."""
-        columns_headers: List[str] = ['Calculator', 'Description']
-        columns_alignment = ['left', 'left']
-        columns_data: List[List[str]] = []
-        for name, config in cls._supported_calculators().items():
-            description: str = config.get('description', 'No description provided.')
-            columns_data.append([name, description])
-
-        console.paragraph('Supported calculators')
-        render_table(
-            columns_headers=columns_headers,
-            columns_alignment=columns_alignment,
-            columns_data=columns_data,
-        )
-
-    @classmethod
-    def create_calculator(cls, calculator_name: str) -> Optional[CalculatorBase]:
-        """Create a calculator instance by name.
-
-        Args:
-            calculator_name: Identifier of the calculator to create.
-
-        Returns:
-            A calculator instance or ``None`` if unknown or unsupported.
-        """
-        config = cls._supported_calculators().get(calculator_name)
-        if not config:
-            log.warning(
-                f"Unknown calculator '{calculator_name}', "
-                f'Supported calculators: {cls.list_supported_calculators()}'
-            )
-            return None
-
-        return config['class']()
+    def _supported_map(cls) -> Dict[str, Type]:
+        """Only include calculators whose engines are importable."""
+        return {klass.type_info.tag: klass for klass in cls._registry if klass.engine_imported}
diff --git a/src/easydiffraction/analysis/calculators/pdffit.py b/src/easydiffraction/analysis/calculators/pdffit.py
index 9f099ff6..4ce20276 100644
--- a/src/easydiffraction/analysis/calculators/pdffit.py
+++ b/src/easydiffraction/analysis/calculators/pdffit.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""PDF calculation backend using diffpy.pdffit2 if available.
+"""
+PDF calculation backend using diffpy.pdffit2 if available.
 
 The class adapts the engine to EasyDiffraction calculator interface and
 silences stdio on import to avoid noisy output in notebooks and logs.
@@ -14,8 +15,10 @@
 import numpy as np
 
 from easydiffraction.analysis.calculators.base import CalculatorBase
-from easydiffraction.experiments.experiment.base import ExperimentBase
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
+from easydiffraction.analysis.calculators.factory import CalculatorFactory
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+from easydiffraction.datablocks.structure.item.base import Structure
 
 try:
     from diffpy.pdffit2 import PdfFit
@@ -36,30 +39,72 @@
     # print("⚠️ 'pdffit' module not found. This calculation engine will
     # not be available.")
     PdfFit = None
+    redirect_stdout = None
+    pdffit_cif_parser = None
+    _pdffit_devnull = None
 
 
+@CalculatorFactory.register
 class PdffitCalculator(CalculatorBase):
     """Wrapper for Pdffit library."""
 
+    type_info = TypeInfo(
+        tag='pdffit',
+        description='PDFfit2 for pair distribution function calculations',
+    )
     engine_imported: bool = PdfFit is not None
 
     @property
-    def name(self):
+    def name(self) -> str:
+        """Short identifier of this calculator engine."""
         return 'pdffit'
 
-    def calculate_structure_factors(self, sample_models, experiments):
+    def calculate_structure_factors(
+        self,
+        structures: object,
+        experiments: object,
+    ) -> list:
+        """
+        Return an empty list; PDF does not compute structure factors.
+
+        Parameters
+        ----------
+        structures : object
+            Unused; kept for interface consistency.
+        experiments : object
+            Unused; kept for interface consistency.
+
+        Returns
+        -------
+        list
+            An empty list.
+        """
         # PDF doesn't compute HKL but we keep interface consistent
         # Intentionally unused, required by public API/signature
-        del sample_models, experiments
+        del structures, experiments
         print('[pdffit] Calculating HKLs (not applicable)...')
         return []
 
     def calculate_pattern(
         self,
-        sample_model: SampleModelBase,
+        structure: Structure,
         experiment: ExperimentBase,
         called_by_minimizer: bool = False,
-    ):
+    ) -> None:
+        """
+        Calculate the PDF pattern using PDFfit2.
+
+        Parameters
+        ----------
+        structure : Structure
+            The structure object supplying atom sites and cell
+            parameters.
+        experiment : ExperimentBase
+            The experiment object supplying instrument and peak
+            parameters.
+        called_by_minimizer : bool, default=False
+            Unused; kept for interface consistency.
+        """
         # Intentionally unused, required by public API/signature
         del called_by_minimizer
 
@@ -67,12 +112,12 @@ def calculate_pattern(
         calculator = PdfFit()
 
         # ---------------------------
-        # Set sample model parameters
+        # Set structure parameters
         # ---------------------------
 
         # TODO: move CIF v2 -> CIF v1 conversion to a separate module
-        # Convert the sample model to CIF supported by PDFfit
-        cif_string_v2 = sample_model.as_cif
+        # Convert the structure to CIF supported by PDFfit
+        cif_string_v2 = structure.as_cif
         # convert to version 1 of CIF format
         # this means: replace all dots with underscores for
         # cases where the dot is surrounded by letters on both sides.
@@ -80,18 +125,18 @@ def calculate_pattern(
         cif_string_v1 = re.sub(pattern, '_', cif_string_v2)
 
         # Create the PDFit structure
-        structure = pdffit_cif_parser().parse(cif_string_v1)
+        pdffit_structure = pdffit_cif_parser().parse(cif_string_v1)
 
         # Set all model parameters:
         # space group, cell parameters, and atom sites (including ADPs)
-        calculator.add_structure(structure)
+        calculator.add_structure(pdffit_structure)
 
         # -------------------------
         # Set experiment parameters
         # -------------------------
 
         # Set some peak-related parameters
-        calculator.setvar('pscale', experiment.linked_phases[sample_model.name].scale.value)
+        calculator.setvar('pscale', experiment.linked_phases[structure.name].scale.value)
         calculator.setvar('delta1', experiment.peak.sharp_delta_1.value)
         calculator.setvar('delta2', experiment.peak.sharp_delta_2.value)
         calculator.setvar('spdiameter', experiment.peak.damp_particle_diameter.value)
diff --git a/src/easydiffraction/analysis/categories/__init__.py b/src/easydiffraction/analysis/categories/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/analysis/categories/__init__.py
+++ b/src/easydiffraction/analysis/categories/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/analysis/categories/aliases.py b/src/easydiffraction/analysis/categories/aliases.py
deleted file mode 100644
index b55db11d..00000000
--- a/src/easydiffraction/analysis/categories/aliases.py
+++ /dev/null
@@ -1,106 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Alias category for mapping friendly names to parameter UIDs.
-
-Defines a small record type used by analysis configuration to refer to
-parameters via readable labels instead of raw unique identifiers.
-"""
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class Alias(CategoryItem):
-    """Single alias entry.
-
-    Maps a human-readable ``label`` to a concrete ``param_uid`` used by
-    the engine.
-
-    Args:
-        label: Alias label. Must match ``^[A-Za-z_][A-Za-z0-9_]*$``.
-        param_uid: Target parameter uid. Same identifier pattern as
-            ``label``.
-    """
-
-    def __init__(
-        self,
-        *,
-        label: str,
-        param_uid: str,
-    ) -> None:
-        super().__init__()
-
-        self._label: StringDescriptor = StringDescriptor(
-            name='label',
-            description='...',
-            value_spec=AttributeSpec(
-                value=label,
-                type_=DataTypes.STRING,
-                default='...',
-                content_validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_alias.label',
-                ]
-            ),
-        )
-        self._param_uid: StringDescriptor = StringDescriptor(
-            name='param_uid',
-            description='...',
-            value_spec=AttributeSpec(
-                value=param_uid,
-                type_=DataTypes.STRING,
-                default='...',
-                content_validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_alias.param_uid',
-                ]
-            ),
-        )
-
-        self._identity.category_code = 'alias'
-        self._identity.category_entry_name = lambda: str(self.label.value)
-
-    @property
-    def label(self):
-        """Alias label descriptor."""
-        return self._label
-
-    @label.setter
-    def label(self, value):
-        """Set alias label.
-
-        Args:
-            value: New label.
-        """
-        self._label.value = value
-
-    @property
-    def param_uid(self):
-        """Parameter uid descriptor the alias points to."""
-        return self._param_uid
-
-    @param_uid.setter
-    def param_uid(self, value):
-        """Set the parameter uid.
-
-        Args:
-            value: New uid.
-        """
-        self._param_uid.value = value
-
-
-class Aliases(CategoryCollection):
-    """Collection of :class:`Alias` items."""
-
-    def __init__(self):
-        """Create an empty collection of aliases."""
-        super().__init__(item_type=Alias)
diff --git a/src/easydiffraction/analysis/categories/aliases/__init__.py b/src/easydiffraction/analysis/categories/aliases/__init__.py
new file mode 100644
index 00000000..6ca3a859
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/aliases/__init__.py
@@ -0,0 +1,5 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.analysis.categories.aliases.default import Alias
+from easydiffraction.analysis.categories.aliases.default import Aliases
diff --git a/src/easydiffraction/analysis/categories/aliases/default.py b/src/easydiffraction/analysis/categories/aliases/default.py
new file mode 100644
index 00000000..7b1e0df0
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/aliases/default.py
@@ -0,0 +1,101 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Alias category for mapping friendly names to parameter UIDs.
+
+Defines a small record type used by analysis configuration to refer to
+parameters via readable labels instead of raw unique identifiers.
+"""
+
+from __future__ import annotations
+
+from easydiffraction.analysis.categories.aliases.factory import AliasesFactory
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class Alias(CategoryItem):
+    """
+    Single alias entry.
+
+    Maps a human-readable ``label`` to a concrete ``param_uid`` used by
+    the engine.
+    """
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._label = StringDescriptor(
+            name='label',
+            description='...',  # TODO
+            value_spec=AttributeSpec(
+                default='_',  # TODO, Maybe None?
+                validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_alias.label']),
+        )
+        self._param_uid = StringDescriptor(
+            name='param_uid',
+            description='...',  # TODO
+            value_spec=AttributeSpec(
+                default='_',
+                validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_alias.param_uid']),
+        )
+
+        self._identity.category_code = 'alias'
+        self._identity.category_entry_name = lambda: str(self.label.value)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def label(self) -> StringDescriptor:
+        """
+        ...
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._label
+
+    @label.setter
+    def label(self, value: str) -> None:
+        self._label.value = value
+
+    @property
+    def param_uid(self) -> StringDescriptor:
+        """
+        ...
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._param_uid
+
+    @param_uid.setter
+    def param_uid(self, value: str) -> None:
+        self._param_uid.value = value
+
+
+@AliasesFactory.register
+class Aliases(CategoryCollection):
+    """Collection of :class:`Alias` items."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Parameter alias mappings',
+    )
+
+    def __init__(self) -> None:
+        """Create an empty collection of aliases."""
+        super().__init__(item_type=Alias)
diff --git a/src/easydiffraction/analysis/categories/aliases/factory.py b/src/easydiffraction/analysis/categories/aliases/factory.py
new file mode 100644
index 00000000..f2bebe43
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/aliases/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Aliases factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class AliasesFactory(FactoryBase):
+    """Create alias collections by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/analysis/categories/constraints.py b/src/easydiffraction/analysis/categories/constraints.py
deleted file mode 100644
index 205a28b1..00000000
--- a/src/easydiffraction/analysis/categories/constraints.py
+++ /dev/null
@@ -1,111 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Simple symbolic constraint between parameters.
-
-Represents an equation of the form ``lhs_alias = rhs_expr`` where
-``rhs_expr`` is evaluated elsewhere by the analysis engine.
-"""
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.singletons import ConstraintsHandler
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class Constraint(CategoryItem):
-    """Single constraint item.
-
-    Args:
-        lhs_alias: Left-hand side alias name being constrained.
-        rhs_expr: Right-hand side expression as a string.
-    """
-
-    def __init__(
-        self,
-        *,
-        lhs_alias: str,
-        rhs_expr: str,
-    ) -> None:
-        super().__init__()
-
-        self._lhs_alias: StringDescriptor = StringDescriptor(
-            name='lhs_alias',
-            description='...',
-            value_spec=AttributeSpec(
-                value=lhs_alias,
-                type_=DataTypes.STRING,
-                default='...',
-                content_validator=RegexValidator(pattern=r'.*'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_constraint.lhs_alias',
-                ]
-            ),
-        )
-        self._rhs_expr: StringDescriptor = StringDescriptor(
-            name='rhs_expr',
-            description='...',
-            value_spec=AttributeSpec(
-                value=rhs_expr,
-                type_=DataTypes.STRING,
-                default='...',
-                content_validator=RegexValidator(pattern=r'.*'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_constraint.rhs_expr',
-                ]
-            ),
-        )
-
-        self._identity.category_code = 'constraint'
-        self._identity.category_entry_name = lambda: str(self.lhs_alias.value)
-
-    @property
-    def lhs_alias(self):
-        """Alias name on the left-hand side of the equation."""
-        return self._lhs_alias
-
-    @lhs_alias.setter
-    def lhs_alias(self, value):
-        """Set the left-hand side alias.
-
-        Args:
-            value: New alias string.
-        """
-        self._lhs_alias.value = value
-
-    @property
-    def rhs_expr(self):
-        """Right-hand side expression string."""
-        return self._rhs_expr
-
-    @rhs_expr.setter
-    def rhs_expr(self, value):
-        """Set the right-hand side expression.
-
-        Args:
-            value: New expression string.
-        """
-        self._rhs_expr.value = value
-
-
-class Constraints(CategoryCollection):
-    """Collection of :class:`Constraint` items."""
-
-    _update_priority = 90  # After most others, but before data categories
-
-    def __init__(self):
-        """Create an empty constraints collection."""
-        super().__init__(item_type=Constraint)
-
-    def _update(self, called_by_minimizer=False):
-        del called_by_minimizer
-
-        constraints = ConstraintsHandler.get()
-        constraints.apply()
diff --git a/src/easydiffraction/analysis/categories/constraints/__init__.py b/src/easydiffraction/analysis/categories/constraints/__init__.py
new file mode 100644
index 00000000..97d8c03c
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/constraints/__init__.py
@@ -0,0 +1,5 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.analysis.categories.constraints.default import Constraint
+from easydiffraction.analysis.categories.constraints.default import Constraints
diff --git a/src/easydiffraction/analysis/categories/constraints/default.py b/src/easydiffraction/analysis/categories/constraints/default.py
new file mode 100644
index 00000000..3bb1b77e
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/constraints/default.py
@@ -0,0 +1,124 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Simple symbolic constraint between parameters.
+
+Represents an equation of the form ``lhs_alias = rhs_expr`` stored as a
+single expression string.  The left- and right-hand sides are derived by
+splitting the expression at the ``=`` sign.
+"""
+
+from __future__ import annotations
+
+from easydiffraction.analysis.categories.constraints.factory import ConstraintsFactory
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.singleton import ConstraintsHandler
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class Constraint(CategoryItem):
+    """Single constraint item stored as ``lhs = rhs`` expression."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._expression = StringDescriptor(
+            name='expression',
+            description='Constraint equation, e.g. "occ_Ba = 1 - occ_La".',
+            value_spec=AttributeSpec(
+                default='_',  # TODO, Maybe None?
+                validator=RegexValidator(pattern=r'.*'),
+            ),
+            cif_handler=CifHandler(names=['_constraint.expression']),
+        )
+
+        self._identity.category_code = 'constraint'
+        self._identity.category_entry_name = lambda: self.lhs_alias
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def expression(self) -> StringDescriptor:
+        """
+        Full constraint equation (e.g. ``'occ_Ba = 1 - occ_La'``).
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the value.
+        """
+        return self._expression
+
+    @expression.setter
+    def expression(self, value: str) -> None:
+        self._expression.value = value
+
+    @property
+    def lhs_alias(self) -> str:
+        """Left-hand side alias derived from the expression."""
+        return self._split_expression()[0]
+
+    @property
+    def rhs_expr(self) -> str:
+        """Right-hand side expression derived from the expression."""
+        return self._split_expression()[1]
+
+    # ------------------------------------------------------------------
+    #  Internal helpers
+    # ------------------------------------------------------------------
+
+    def _split_expression(self) -> tuple[str, str]:
+        """
+        Split the expression at the first ``=`` sign.
+
+        Returns
+        -------
+        tuple[str, str]
+            ``(lhs_alias, rhs_expr)`` with whitespace stripped.
+        """
+        raw = self._expression.value or ''
+        if '=' not in raw:
+            return (raw.strip(), '')
+        lhs, rhs = raw.split('=', 1)
+        return (lhs.strip(), rhs.strip())
+
+
+@ConstraintsFactory.register
+class Constraints(CategoryCollection):
+    """Collection of :class:`Constraint` items."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Symbolic parameter constraints',
+    )
+
+    _update_priority = 90  # After most others, but before data categories
+
+    def __init__(self) -> None:
+        """Create an empty constraints collection."""
+        super().__init__(item_type=Constraint)
+
+    def create(self, *, expression: str) -> None:
+        """
+        Create a constraint from an expression string.
+
+        Parameters
+        ----------
+        expression : str
+            Constraint equation, e.g. ``'biso_Co2 = biso_Co1'`` or
+            ``'occ_Ba = 1 - occ_La'``.
+        """
+        item = Constraint()
+        item.expression = expression
+        self.add(item)
+
+    def _update(self, called_by_minimizer: bool = False) -> None:
+        del called_by_minimizer
+
+        constraints = ConstraintsHandler.get()
+        constraints.apply()
diff --git a/src/easydiffraction/analysis/categories/constraints/factory.py b/src/easydiffraction/analysis/categories/constraints/factory.py
new file mode 100644
index 00000000..682c9684
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/constraints/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Constraints factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class ConstraintsFactory(FactoryBase):
+    """Create constraint collections by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/analysis/categories/fit_mode/__init__.py b/src/easydiffraction/analysis/categories/fit_mode/__init__.py
new file mode 100644
index 00000000..058d054c
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/fit_mode/__init__.py
@@ -0,0 +1,6 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.analysis.categories.fit_mode.enums import FitModeEnum
+from easydiffraction.analysis.categories.fit_mode.factory import FitModeFactory
+from easydiffraction.analysis.categories.fit_mode.fit_mode import FitMode
diff --git a/src/easydiffraction/analysis/categories/fit_mode/enums.py b/src/easydiffraction/analysis/categories/fit_mode/enums.py
new file mode 100644
index 00000000..5e904eae
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/fit_mode/enums.py
@@ -0,0 +1,26 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Enumeration for fit-mode values."""
+
+from __future__ import annotations
+
+from enum import Enum
+
+
+class FitModeEnum(str, Enum):
+    """Fitting strategy for the analysis."""
+
+    SINGLE = 'single'
+    JOINT = 'joint'
+
+    @classmethod
+    def default(cls) -> FitModeEnum:
+        """Return the default fit mode (SINGLE)."""
+        return cls.SINGLE
+
+    def description(self) -> str:
+        """Return a human-readable description of this fit mode."""
+        if self is FitModeEnum.SINGLE:
+            return 'Independent fitting of each experiment; no shared parameters'
+        elif self is FitModeEnum.JOINT:
+            return 'Simultaneous fitting of all experiments; some parameters are shared'
diff --git a/src/easydiffraction/analysis/categories/fit_mode/factory.py b/src/easydiffraction/analysis/categories/fit_mode/factory.py
new file mode 100644
index 00000000..f10485f8
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/fit_mode/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Fit-mode factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class FitModeFactory(FactoryBase):
+    """Create fit-mode category items by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/analysis/categories/fit_mode/fit_mode.py b/src/easydiffraction/analysis/categories/fit_mode/fit_mode.py
new file mode 100644
index 00000000..b0589a2e
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/fit_mode/fit_mode.py
@@ -0,0 +1,64 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Fit-mode category item.
+
+Stores the active fitting strategy as a CIF-serializable descriptor
+validated by ``FitModeEnum``.
+"""
+
+from __future__ import annotations
+
+from easydiffraction.analysis.categories.fit_mode.enums import FitModeEnum
+from easydiffraction.analysis.categories.fit_mode.factory import FitModeFactory
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import MembershipValidator
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@FitModeFactory.register
+class FitMode(CategoryItem):
+    """
+    Fitting strategy selector.
+
+    Holds a single ``mode`` descriptor whose value is one of
+    ``FitModeEnum`` members (``'single'`` or ``'joint'``).
+    """
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Fit-mode category',
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._mode: StringDescriptor = StringDescriptor(
+            name='mode',
+            description='Fitting strategy',
+            value_spec=AttributeSpec(
+                default=FitModeEnum.default().value,
+                validator=MembershipValidator(allowed=[member.value for member in FitModeEnum]),
+            ),
+            cif_handler=CifHandler(names=['_analysis.fit_mode']),
+        )
+
+        self._identity.category_code = 'fit_mode'
+
+    @property
+    def mode(self) -> StringDescriptor:
+        """
+        Fitting strategy.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._mode
+
+    @mode.setter
+    def mode(self, value: str) -> None:
+        self._mode.value = value
diff --git a/src/easydiffraction/analysis/categories/joint_fit_experiments.py b/src/easydiffraction/analysis/categories/joint_fit_experiments.py
deleted file mode 100644
index 818dd6f6..00000000
--- a/src/easydiffraction/analysis/categories/joint_fit_experiments.py
+++ /dev/null
@@ -1,104 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Joint-fit experiment weighting configuration.
-
-Stores per-experiment weights to be used when multiple experiments are
-fitted simultaneously.
-"""
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class JointFitExperiment(CategoryItem):
-    """A single joint-fit entry.
-
-    Args:
-        id: Experiment identifier used in the fit session.
-        weight: Relative weight factor in the combined objective.
-    """
-
-    def __init__(
-        self,
-        *,
-        id: str,
-        weight: float,
-    ) -> None:
-        super().__init__()
-
-        self._id: StringDescriptor = StringDescriptor(
-            name='id',  # TODO: need new name instead of id
-            description='...',
-            value_spec=AttributeSpec(
-                value=id,
-                type_=DataTypes.STRING,
-                default='...',
-                content_validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_joint_fit_experiment.id',
-                ]
-            ),
-        )
-        self._weight: NumericDescriptor = NumericDescriptor(
-            name='weight',
-            description='...',
-            value_spec=AttributeSpec(
-                value=weight,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_joint_fit_experiment.weight',
-                ]
-            ),
-        )
-
-        self._identity.category_code = 'joint_fit_experiment'
-        self._identity.category_entry_name = lambda: str(self.id.value)
-
-    @property
-    def id(self):
-        """Experiment identifier descriptor."""
-        return self._id
-
-    @id.setter
-    def id(self, value):
-        """Set the experiment identifier.
-
-        Args:
-            value: New id string.
-        """
-        self._id.value = value
-
-    @property
-    def weight(self):
-        """Weight factor descriptor."""
-        return self._weight
-
-    @weight.setter
-    def weight(self, value):
-        """Set the weight factor.
-
-        Args:
-            value: New weight value.
-        """
-        self._weight.value = value
-
-
-class JointFitExperiments(CategoryCollection):
-    """Collection of :class:`JointFitExperiment` items."""
-
-    def __init__(self):
-        """Create an empty joint-fit experiments collection."""
-        super().__init__(item_type=JointFitExperiment)
diff --git a/src/easydiffraction/analysis/categories/joint_fit_experiments/__init__.py b/src/easydiffraction/analysis/categories/joint_fit_experiments/__init__.py
new file mode 100644
index 00000000..1aa8f0ae
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/joint_fit_experiments/__init__.py
@@ -0,0 +1,5 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.analysis.categories.joint_fit_experiments.default import JointFitExperiment
+from easydiffraction.analysis.categories.joint_fit_experiments.default import JointFitExperiments
diff --git a/src/easydiffraction/analysis/categories/joint_fit_experiments/default.py b/src/easydiffraction/analysis/categories/joint_fit_experiments/default.py
new file mode 100644
index 00000000..b94bd7de
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/joint_fit_experiments/default.py
@@ -0,0 +1,100 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Joint-fit experiment weighting configuration.
+
+Stores per-experiment weights to be used when multiple experiments are
+fitted simultaneously.
+"""
+
+from __future__ import annotations
+
+from easydiffraction.analysis.categories.joint_fit_experiments.factory import (
+    JointFitExperimentsFactory,
+)
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class JointFitExperiment(CategoryItem):
+    """A single joint-fit entry."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._id: StringDescriptor = StringDescriptor(
+            name='id',  # TODO: need new name instead of id
+            description='Experiment identifier',  # TODO
+            value_spec=AttributeSpec(
+                default='_',
+                validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_joint_fit_experiment.id']),
+        )
+        self._weight: NumericDescriptor = NumericDescriptor(
+            name='weight',
+            description='Weight factor',  # TODO
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_joint_fit_experiment.weight']),
+        )
+
+        self._identity.category_code = 'joint_fit_experiment'
+        self._identity.category_entry_name = lambda: str(self.id.value)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def id(self) -> StringDescriptor:
+        """
+        Experiment identifier.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._id
+
+    @id.setter
+    def id(self, value: str) -> None:
+        self._id.value = value
+
+    @property
+    def weight(self) -> NumericDescriptor:
+        """
+        Weight factor.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._weight
+
+    @weight.setter
+    def weight(self, value: float) -> None:
+        self._weight.value = value
+
+
+@JointFitExperimentsFactory.register
+class JointFitExperiments(CategoryCollection):
+    """Collection of :class:`JointFitExperiment` items."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Joint-fit experiment weights',
+    )
+
+    def __init__(self) -> None:
+        """Create an empty joint-fit experiments collection."""
+        super().__init__(item_type=JointFitExperiment)
diff --git a/src/easydiffraction/analysis/categories/joint_fit_experiments/factory.py b/src/easydiffraction/analysis/categories/joint_fit_experiments/factory.py
new file mode 100644
index 00000000..57666098
--- /dev/null
+++ b/src/easydiffraction/analysis/categories/joint_fit_experiments/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Joint-fit-experiments factory — delegates to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class JointFitExperimentsFactory(FactoryBase):
+    """Create joint-fit experiment collections by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/analysis/fit_helpers/__init__.py b/src/easydiffraction/analysis/fit_helpers/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/analysis/fit_helpers/__init__.py
+++ b/src/easydiffraction/analysis/fit_helpers/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/analysis/fit_helpers/metrics.py b/src/easydiffraction/analysis/fit_helpers/metrics.py
index b6ef9928..dee08f86 100644
--- a/src/easydiffraction/analysis/fit_helpers/metrics.py
+++ b/src/easydiffraction/analysis/fit_helpers/metrics.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typing import Optional
@@ -6,22 +6,27 @@
 
 import numpy as np
 
-from easydiffraction.experiments.experiments import Experiments
-from easydiffraction.sample_models.sample_models import SampleModels
+from easydiffraction.datablocks.experiment.collection import Experiments
+from easydiffraction.datablocks.structure.collection import Structures
 
 
 def calculate_r_factor(
     y_obs: np.ndarray,
     y_calc: np.ndarray,
 ) -> float:
-    """Calculate the R-factor (reliability factor) between observed and
-    calculated data.
-
-    Args:
-        y_obs: Observed data points.
-        y_calc: Calculated data points.
-
-    Returns:
+    """
+    Calculate the R-factor between observed and calculated data.
+
+    Parameters
+    ----------
+    y_obs : np.ndarray
+        Observed data points.
+    y_calc : np.ndarray
+        Calculated data points.
+
+    Returns
+    -------
+    float
         R-factor value.
     """
     y_obs = np.asarray(y_obs)
@@ -36,15 +41,21 @@ def calculate_weighted_r_factor(
     y_calc: np.ndarray,
     weights: np.ndarray,
 ) -> float:
-    """Calculate the weighted R-factor between observed and calculated
-    data.
-
-    Args:
-        y_obs: Observed data points.
-        y_calc: Calculated data points.
-        weights: Weights for each data point.
-
-    Returns:
+    """
+    Calculate weighted R-factor between observed and calculated data.
+
+    Parameters
+    ----------
+    y_obs : np.ndarray
+        Observed data points.
+    y_calc : np.ndarray
+        Calculated data points.
+    weights : np.ndarray
+        Weights for each data point.
+
+    Returns
+    -------
+    float
         Weighted R-factor value.
     """
     y_obs = np.asarray(y_obs)
@@ -59,14 +70,19 @@ def calculate_rb_factor(
     y_obs: np.ndarray,
     y_calc: np.ndarray,
 ) -> float:
-    """Calculate the Bragg R-factor between observed and calculated
-    data.
-
-    Args:
-        y_obs: Observed data points.
-        y_calc: Calculated data points.
-
-    Returns:
+    """
+    Calculate the Bragg R-factor between observed and calculated data.
+
+    Parameters
+    ----------
+    y_obs : np.ndarray
+        Observed data points.
+    y_calc : np.ndarray
+        Calculated data points.
+
+    Returns
+    -------
+    float
         Bragg R-factor value.
     """
     y_obs = np.asarray(y_obs)
@@ -80,14 +96,19 @@ def calculate_r_factor_squared(
     y_obs: np.ndarray,
     y_calc: np.ndarray,
 ) -> float:
-    """Calculate the R-factor squared between observed and calculated
-    data.
-
-    Args:
-        y_obs: Observed data points.
-        y_calc: Calculated data points.
-
-    Returns:
+    """
+    Calculate the R-factor squared between observed and calculated data.
+
+    Parameters
+    ----------
+    y_obs : np.ndarray
+        Observed data points.
+    y_calc : np.ndarray
+        Calculated data points.
+
+    Returns
+    -------
+    float
         R-factor squared value.
     """
     y_obs = np.asarray(y_obs)
@@ -101,13 +122,19 @@ def calculate_reduced_chi_square(
     residuals: np.ndarray,
     num_parameters: int,
 ) -> float:
-    """Calculate the reduced chi-square statistic.
-
-    Args:
-        residuals: Residuals between observed and calculated data.
-        num_parameters: Number of free parameters used in the model.
-
-    Returns:
+    """
+    Calculate the reduced chi-square statistic.
+
+    Parameters
+    ----------
+    residuals : np.ndarray
+        Residuals between observed and calculated data.
+    num_parameters : int
+        Number of free parameters used in the model.
+
+    Returns
+    -------
+    float
         Reduced chi-square value.
     """
     residuals = np.asarray(residuals)
@@ -121,31 +148,39 @@ def calculate_reduced_chi_square(
 
 
 def get_reliability_inputs(
-    sample_models: SampleModels,
+    structures: Structures,
     experiments: Experiments,
 ) -> Tuple[np.ndarray, np.ndarray, Optional[np.ndarray]]:
-    """Collect observed and calculated data points for reliability
-    calculations.
-
-    Args:
-        sample_models: Collection of sample models.
-        experiments: Collection of experiments.
-
-    Returns:
-        Tuple containing arrays of (observed values, calculated values,
-            error values)
+    """
+    Collect observed and calculated data for reliability calculations.
+
+    Parameters
+    ----------
+    structures : Structures
+        Collection of structures.
+    experiments : Experiments
+        Collection of experiments.
+
+    Returns
+    -------
+    np.ndarray
+        Observed values.
+    np.ndarray
+        Calculated values.
+    Optional[np.ndarray]
+        Error values, or None if not available.
     """
     y_obs_all = []
     y_calc_all = []
     y_err_all = []
     for experiment in experiments.values():
-        for sample_model in sample_models:
-            sample_model._update_categories()
+        for structure in structures:
+            structure._update_categories()
         experiment._update_categories()
 
-        y_calc = experiment.data.calc
-        y_meas = experiment.data.meas
-        y_meas_su = experiment.data.meas_su
+        y_calc = experiment.data.intensity_calc
+        y_meas = experiment.data.intensity_meas
+        y_meas_su = experiment.data.intensity_meas_su
 
         if y_meas is not None and y_calc is not None:
             # If standard uncertainty is not provided, use ones
diff --git a/src/easydiffraction/analysis/fit_helpers/reporting.py b/src/easydiffraction/analysis/fit_helpers/reporting.py
index d9dbc40e..a1468aa5 100644
--- a/src/easydiffraction/analysis/fit_helpers/reporting.py
+++ b/src/easydiffraction/analysis/fit_helpers/reporting.py
@@ -1,7 +1,6 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from typing import Any
 from typing import List
 from typing import Optional
 
@@ -14,7 +13,8 @@
 
 
 class FitResults:
-    """Container for results of a single optimization run.
+    """
+    Container for results of a single optimization run.
 
     Holds success flag, chi-square metrics, iteration counts, timing,
     and parameter objects. Provides a printer to summarize key
@@ -24,41 +24,53 @@ class FitResults:
     def __init__(
         self,
         success: bool = False,
-        parameters: Optional[List[Any]] = None,
+        parameters: Optional[List[object]] = None,
         chi_square: Optional[float] = None,
         reduced_chi_square: Optional[float] = None,
         message: str = '',
         iterations: int = 0,
-        engine_result: Optional[Any] = None,
-        starting_parameters: Optional[List[Any]] = None,
+        engine_result: Optional[object] = None,
+        starting_parameters: Optional[List[object]] = None,
         fitting_time: Optional[float] = None,
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
-        """Initialize FitResults with the given parameters.
-
-        Args:
-            success: Indicates if the fit was successful.
-            parameters: List of parameters used in the fit.
-            chi_square: Chi-square value of the fit.
-            reduced_chi_square: Reduced chi-square value of the fit.
-            message: Message related to the fit.
-            iterations: Number of iterations performed.
-            engine_result: Result from the fitting engine.
-            starting_parameters: Initial parameters for the fit.
-            fitting_time: Time taken for the fitting process.
-            **kwargs: Additional engine-specific fields. If ``redchi``
-                is provided and ``reduced_chi_square`` is not set, it is
-                used as the reduced chi-square value.
+        """
+        Initialize FitResults with the given parameters.
+
+        Parameters
+        ----------
+        success : bool, default=False
+            Indicates if the fit was successful.
+        parameters : Optional[List[object]], default=None
+            List of parameters used in the fit.
+        chi_square : Optional[float], default=None
+            Chi-square value of the fit.
+        reduced_chi_square : Optional[float], default=None
+            Reduced chi-square value of the fit.
+        message : str, default=''
+            Message related to the fit.
+        iterations : int, default=0
+            Number of iterations performed.
+        engine_result : Optional[object], default=None
+            Result from the fitting engine.
+        starting_parameters : Optional[List[object]], default=None
+            Initial parameters for the fit.
+        fitting_time : Optional[float], default=None
+            Time taken for the fitting process.
+        **kwargs : object
+            Additional engine-specific fields. If ``redchi`` is provided
+            and ``reduced_chi_square`` is not set, it is used as the
+            reduced chi-square value.
         """
         self.success: bool = success
-        self.parameters: List[Any] = parameters if parameters is not None else []
+        self.parameters: List[object] = parameters if parameters is not None else []
         self.chi_square: Optional[float] = chi_square
         self.reduced_chi_square: Optional[float] = reduced_chi_square
         self.message: str = message
         self.iterations: int = iterations
-        self.engine_result: Optional[Any] = engine_result
-        self.result: Optional[Any] = None
-        self.starting_parameters: List[Any] = (
+        self.engine_result: Optional[object] = engine_result
+        self.result: Optional[object] = None
+        self.starting_parameters: List[object] = (
             starting_parameters if starting_parameters is not None else []
         )
         self.fitting_time: Optional[float] = fitting_time
@@ -77,14 +89,21 @@ def display_results(
         f_obs: Optional[List[float]] = None,
         f_calc: Optional[List[float]] = None,
     ) -> None:
-        """Render a human-readable summary of the fit.
-
-        Args:
-            y_obs: Observed intensities for pattern R-factor metrics.
-            y_calc: Calculated intensities for pattern R-factor metrics.
-            y_err: Standard deviations of observed intensities for wR.
-            f_obs: Observed structure-factor magnitudes for Bragg R.
-            f_calc: Calculated structure-factor magnitudes for Bragg R.
+        """
+        Render a human-readable summary of the fit.
+
+        Parameters
+        ----------
+        y_obs : Optional[List[float]], default=None
+            Observed intensities for pattern R-factor metrics.
+        y_calc : Optional[List[float]], default=None
+            Calculated intensities for pattern R-factor metrics.
+        y_err : Optional[List[float]], default=None
+            Standard deviations of observed intensities for wR.
+        f_obs : Optional[List[float]], default=None
+            Observed structure-factor magnitudes for Bragg R.
+        f_calc : Optional[List[float]], default=None
+            Calculated structure-factor magnitudes for Bragg R.
         """
         status_icon = '✅' if self.success else '❌'
         rf = rf2 = wr = br = None
diff --git a/src/easydiffraction/analysis/fit_helpers/tracking.py b/src/easydiffraction/analysis/fit_helpers/tracking.py
index 438fd46d..804dc536 100644
--- a/src/easydiffraction/analysis/fit_helpers/tracking.py
+++ b/src/easydiffraction/analysis/fit_helpers/tracking.py
@@ -1,9 +1,8 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import time
 from contextlib import suppress
-from typing import Any
 from typing import List
 from typing import Optional
 
@@ -20,6 +19,7 @@
     clear_output = None
 
 from easydiffraction.analysis.fit_helpers.metrics import calculate_reduced_chi_square
+from easydiffraction.utils.enums import VerbosityEnum
 from easydiffraction.utils.environment import in_jupyter
 from easydiffraction.utils.utils import render_table
 
@@ -36,31 +36,40 @@
 
 
 class _TerminalLiveHandle:
-    """Adapter that exposes update()/close() for terminal live updates.
+    """
+    Adapter that exposes update()/close() for terminal live updates.
 
     Wraps a rich.live.Live instance but keeps the tracker decoupled from
     the underlying UI mechanism.
     """
 
-    def __init__(self, live) -> None:
+    def __init__(self, live: object) -> None:
         self._live = live
 
-    def update(self, renderable) -> None:
+    def update(self, renderable: object) -> None:
+        """
+        Refresh the live display with a new renderable.
+
+        Parameters
+        ----------
+        renderable : object
+            A Rich-compatible renderable to display.
+        """
         self._live.update(renderable, refresh=True)
 
     def close(self) -> None:
+        """Stop the live display, suppressing any errors."""
         with suppress(Exception):
             self._live.stop()
 
 
-def _make_display_handle() -> Any | None:
-    """Create and initialize a display/update handle for the
-    environment.
+def _make_display_handle() -> object | None:
+    """
+    Create and initialize a display/update handle for the environment.
 
     - In Jupyter, returns an IPython DisplayHandle and creates a
-        placeholder.
-    - In terminal, returns a _TerminalLiveHandle backed by rich Live.
-    - If neither applies, returns None.
+    placeholder. - In terminal, returns a _TerminalLiveHandle backed by
+    rich Live. - If neither applies, returns None.
     """
     if in_jupyter() and display is not None and HTML is not None:
         h = DisplayHandle()
@@ -77,7 +86,8 @@ def _make_display_handle() -> Any | None:
 
 
 class FitProgressTracker:
-    """Track and report reduced chi-square during optimization.
+    """
+    Track and report reduced chi-square during optimization.
 
     The tracker keeps iteration counters, remembers the best observed
     reduced chi-square and when it occurred, and can display progress as
@@ -92,10 +102,11 @@ def __init__(self) -> None:
         self._best_chi2: Optional[float] = None
         self._best_iteration: Optional[int] = None
         self._fitting_time: Optional[float] = None
+        self._verbosity: VerbosityEnum = VerbosityEnum.FULL
 
         self._df_rows: List[List[str]] = []
-        self._display_handle: Optional[Any] = None
-        self._live: Optional[Any] = None
+        self._display_handle: Optional[object] = None
+        self._live: Optional[object] = None
 
     def reset(self) -> None:
         """Reset internal state before a new optimization run."""
@@ -112,13 +123,19 @@ def track(
         residuals: np.ndarray,
         parameters: List[float],
     ) -> np.ndarray:
-        """Update progress with current residuals and parameters.
-
-        Args:
-            residuals: Residuals between measured and calculated data.
-            parameters: Current free parameters being fitted.
-
-        Returns:
+        """
+        Update progress with current residuals and parameters.
+
+        Parameters
+        ----------
+        residuals : np.ndarray
+            Residuals between measured and calculated data.
+        parameters : List[float]
+            Current free parameters being fitted.
+
+        Returns
+        -------
+        np.ndarray
             Residuals unchanged, for optimizer consumption.
         """
         self._iteration += 1
@@ -200,11 +217,19 @@ def stop_timer(self) -> None:
         self._fitting_time = self._end_time - self._start_time
 
     def start_tracking(self, minimizer_name: str) -> None:
-        """Initialize display and headers and announce the minimizer.
+        """
+        Initialize display and headers and announce the minimizer.
 
-        Args:
-            minimizer_name: Name of the minimizer used for the run.
+        Parameters
+        ----------
+        minimizer_name : str
+            Name of the minimizer used for the run.
         """
+        if self._verbosity is VerbosityEnum.SILENT:
+            return
+        if self._verbosity is VerbosityEnum.SHORT:
+            return
+
         console.print(f"🚀 Starting fit process with '{minimizer_name}'...")
         console.print('📈 Goodness-of-fit (reduced χ²) change:')
 
@@ -221,14 +246,19 @@ def start_tracking(self, minimizer_name: str) -> None:
         )
 
     def add_tracking_info(self, row: List[str]) -> None:
-        """Append a formatted row to the progress display.
+        """
+        Append a formatted row to the progress display.
 
-        Args:
-            row: Columns corresponding to DEFAULT_HEADERS.
+        Parameters
+        ----------
+        row : List[str]
+            Columns corresponding to DEFAULT_HEADERS.
         """
+        self._df_rows.append(row)
+        if self._verbosity is not VerbosityEnum.FULL:
+            return
         # Append and update via the active handle (Jupyter or
         # terminal live)
-        self._df_rows.append(row)
         render_table(
             columns_headers=DEFAULT_HEADERS,
             columns_alignment=DEFAULT_ALIGNMENTS,
@@ -246,6 +276,9 @@ def finish_tracking(self) -> None:
         ]
         self.add_tracking_info(row)
 
+        if self._verbosity is not VerbosityEnum.FULL:
+            return
+
         # Close terminal live if used
         if self._display_handle is not None and hasattr(self._display_handle, 'close'):
             with suppress(Exception):
diff --git a/src/easydiffraction/analysis/fitting.py b/src/easydiffraction/analysis/fitting.py
index ee6e3c84..de6dcdaa 100644
--- a/src/easydiffraction/analysis/fitting.py
+++ b/src/easydiffraction/analysis/fitting.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typing import TYPE_CHECKING
@@ -11,9 +11,10 @@
 
 from easydiffraction.analysis.fit_helpers.metrics import get_reliability_inputs
 from easydiffraction.analysis.minimizers.factory import MinimizerFactory
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.experiments.experiments import Experiments
-from easydiffraction.sample_models.sample_models import SampleModels
+from easydiffraction.core.variable import Parameter
+from easydiffraction.datablocks.experiment.collection import Experiments
+from easydiffraction.datablocks.structure.collection import Structures
+from easydiffraction.utils.enums import VerbosityEnum
 
 if TYPE_CHECKING:
     from easydiffraction.analysis.fit_helpers.reporting import FitResults
@@ -22,33 +23,42 @@
 class Fitter:
     """Handles the fitting workflow using a pluggable minimizer."""
 
-    def __init__(self, selection: str = 'lmfit (leastsq)') -> None:
+    def __init__(self, selection: str = 'lmfit') -> None:
         self.selection: str = selection
-        self.engine: str = selection.split(' ')[0]  # Extracts 'lmfit' or 'dfols'
-        self.minimizer = MinimizerFactory.create_minimizer(selection)
+        self.engine: str = selection
+        self.minimizer = MinimizerFactory.create(selection)
         self.results: Optional[FitResults] = None
 
     def fit(
         self,
-        sample_models: SampleModels,
+        structures: Structures,
         experiments: Experiments,
         weights: Optional[np.array] = None,
-        analysis=None,
+        analysis: object = None,
+        verbosity: VerbosityEnum = VerbosityEnum.FULL,
     ) -> None:
-        """Run the fitting process.
+        """
+        Run the fitting process.
 
         This method performs the optimization but does not display
-        results. Use :meth:`show_fit_results` on the Analysis object
-        to display the fit results after fitting is complete.
-
-        Args:
-            sample_models: Collection of sample models.
-            experiments: Collection of experiments.
-            weights: Optional weights for joint fitting.
-            analysis: Optional Analysis object to update its categories
-                during fitting.
+        results. Use :meth:`show_fit_results` on the Analysis object to
+        display the fit results after fitting is complete.
+
+        Parameters
+        ----------
+        structures : Structures
+            Collection of structures.
+        experiments : Experiments
+            Collection of experiments.
+        weights : Optional[np.array], default=None
+            Optional weights for joint fitting.
+        analysis : object, default=None
+            Optional Analysis object to update its categories during
+            fitting.
+        verbosity : VerbosityEnum, default=VerbosityEnum.FULL
+            Console output verbosity.
         """
-        params = sample_models.free_parameters + experiments.free_parameters
+        params = structures.free_parameters + experiments.free_parameters
 
         if not params:
             print('⚠️ No parameters selected for fitting.')
@@ -58,36 +68,53 @@ def fit(
             param._fit_start_value = param.value
 
         def objective_function(engine_params: Dict[str, Any]) -> np.ndarray:
+            """
+            Evaluate the residual for the current minimizer parameters.
+
+            Parameters
+            ----------
+            engine_params : Dict[str, Any]
+                Parameter values provided by the minimizer engine.
+
+            Returns
+            -------
+            np.ndarray
+                Residual array passed back to the minimizer.
+            """
             return self._residual_function(
                 engine_params=engine_params,
                 parameters=params,
-                sample_models=sample_models,
+                structures=structures,
                 experiments=experiments,
                 weights=weights,
                 analysis=analysis,
             )
 
         # Perform fitting
-        self.results = self.minimizer.fit(params, objective_function)
+        self.results = self.minimizer.fit(params, objective_function, verbosity=verbosity)
 
     def _process_fit_results(
         self,
-        sample_models: SampleModels,
+        structures: Structures,
         experiments: Experiments,
     ) -> None:
-        """Collect reliability inputs and display fit results.
+        """
+        Collect reliability inputs and display fit results.
 
         This method is typically called by
         :meth:`Analysis.show_fit_results` rather than directly. It
-        calculates R-factors and other metrics, then renders them to
-        the console.
-
-        Args:
-            sample_models: Collection of sample models.
-            experiments: Collection of experiments.
+        calculates R-factors and other metrics, then renders them to the
+        console.
+
+        Parameters
+        ----------
+        structures : Structures
+            Collection of structures.
+        experiments : Experiments
+            Collection of experiments.
         """
         y_obs, y_calc, y_err = get_reliability_inputs(
-            sample_models,
+            structures,
             experiments,
         )
 
@@ -105,54 +132,71 @@ def _process_fit_results(
 
     def _collect_free_parameters(
         self,
-        sample_models: SampleModels,
+        structures: Structures,
         experiments: Experiments,
     ) -> List[Parameter]:
-        """Collect free parameters from sample models and experiments.
-
-        Args:
-            sample_models: Collection of sample models.
-            experiments: Collection of experiments.
-
-        Returns:
+        """
+        Collect free parameters from structures and experiments.
+
+        Parameters
+        ----------
+        structures : Structures
+            Collection of structures.
+        experiments : Experiments
+            Collection of experiments.
+
+        Returns
+        -------
+        List[Parameter]
             List of free parameters.
         """
-        free_params: List[Parameter] = sample_models.free_parameters + experiments.free_parameters
+        free_params: List[Parameter] = structures.free_parameters + experiments.free_parameters
         return free_params
 
     def _residual_function(
         self,
         engine_params: Dict[str, Any],
         parameters: List[Parameter],
-        sample_models: SampleModels,
+        structures: Structures,
         experiments: Experiments,
         weights: Optional[np.array] = None,
-        analysis=None,
+        analysis: object = None,
     ) -> np.ndarray:
-        """Residual function computes the difference between measured
-        and calculated patterns. It updates the parameter values
-        according to the optimizer-provided engine_params.
-
-        Args:
-            engine_params: Engine-specific parameter dict.
-            parameters: List of parameters being optimized.
-            sample_models: Collection of sample models.
-            experiments: Collection of experiments.
-            weights: Optional weights for joint fitting.
-            analysis: Optional Analysis object to update its categories
-                during fitting.
-
-        Returns:
+        """
+        Compute residuals between measured and calculated patterns.
+
+        It updates the parameter values according to the
+        optimizer-provided engine_params.
+
+        Parameters
+        ----------
+        engine_params : Dict[str, Any]
+            Engine-specific parameter dict.
+        parameters : List[Parameter]
+            List of parameters being optimized.
+        structures : Structures
+            Collection of structures.
+        experiments : Experiments
+            Collection of experiments.
+        weights : Optional[np.array], default=None
+            Optional weights for joint fitting.
+        analysis : object, default=None
+            Optional Analysis object to update its categories during
+            fitting.
+
+        Returns
+        -------
+        np.ndarray
             Array of weighted residuals.
         """
         # Sync parameters back to objects
         self.minimizer._sync_result_to_parameters(parameters, engine_params)
 
         # Update categories to reflect new parameter values
-        # Order matters: sample models first (symmetry, structure),
+        # Order matters: structures first (symmetry, structure),
         # then analysis (constraints), then experiments (calculations)
-        for sample_model in sample_models:
-            sample_model._update_categories()
+        for structure in structures:
+            structure._update_categories()
 
         if analysis is not None:
             analysis._update_categories(called_by_minimizer=True)
@@ -182,9 +226,9 @@ def _residual_function(
 
             # Calculate the difference between measured and calculated
             # patterns
-            y_calc: np.ndarray = experiment.data.calc
-            y_meas: np.ndarray = experiment.data.meas
-            y_meas_su: np.ndarray = experiment.data.meas_su
+            y_calc: np.ndarray = experiment.data.intensity_calc
+            y_meas: np.ndarray = experiment.data.intensity_meas
+            y_meas_su: np.ndarray = experiment.data.intensity_meas_su
             diff = (y_meas - y_calc) / y_meas_su
 
             # Residuals are squared before going into reduced
diff --git a/src/easydiffraction/analysis/minimizers/__init__.py b/src/easydiffraction/analysis/minimizers/__init__.py
index 429f2648..01fbc136 100644
--- a/src/easydiffraction/analysis/minimizers/__init__.py
+++ b/src/easydiffraction/analysis/minimizers/__init__.py
@@ -1,2 +1,5 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.analysis.minimizers.dfols import DfolsMinimizer
+from easydiffraction.analysis.minimizers.lmfit import LmfitMinimizer
diff --git a/src/easydiffraction/analysis/minimizers/base.py b/src/easydiffraction/analysis/minimizers/base.py
index 275ad973..63b6bc27 100644
--- a/src/easydiffraction/analysis/minimizers/base.py
+++ b/src/easydiffraction/analysis/minimizers/base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from abc import ABC
@@ -13,17 +13,17 @@
 
 from easydiffraction.analysis.fit_helpers.reporting import FitResults
 from easydiffraction.analysis.fit_helpers.tracking import FitProgressTracker
+from easydiffraction.utils.enums import VerbosityEnum
 
 
 class MinimizerBase(ABC):
-    """Abstract base for concrete minimizers.
-
-    Contract:
-    - Subclasses must implement ``_prepare_solver_args``,
-        ``_run_solver``, ``_sync_result_to_parameters`` and
-        ``_check_success``.
-    - The ``fit`` method orchestrates the full workflow and returns
-        :class:`FitResults`.
+    """
+    Abstract base for concrete minimizers.
+
+    Contract: - Subclasses must implement ``_prepare_solver_args``,
+    ``_run_solver``, ``_sync_result_to_parameters`` and
+    ``_check_success``. - The ``fit`` method orchestrates the full
+    workflow and returns     :class:`FitResults`.
     """
 
     def __init__(
@@ -43,13 +43,23 @@ def __init__(
         self._fitting_time: Optional[float] = None
         self.tracker: FitProgressTracker = FitProgressTracker()
 
-    def _start_tracking(self, minimizer_name: str) -> None:
-        """Initialize progress tracking and timer.
-
-        Args:
-            minimizer_name: Human-readable name shown in progress.
+    def _start_tracking(
+        self,
+        minimizer_name: str,
+        verbosity: VerbosityEnum = VerbosityEnum.FULL,
+    ) -> None:
+        """
+        Initialize progress tracking and timer.
+
+        Parameters
+        ----------
+        minimizer_name : str
+            Human-readable name shown in progress.
+        verbosity : VerbosityEnum, default=VerbosityEnum.FULL
+            Console output verbosity.
         """
         self.tracker.reset()
+        self.tracker._verbosity = verbosity
         self.tracker.start_tracking(minimizer_name)
         self.tracker.start_timer()
 
@@ -60,12 +70,17 @@ def _stop_tracking(self) -> None:
 
     @abstractmethod
     def _prepare_solver_args(self, parameters: List[Any]) -> Dict[str, Any]:
-        """Prepare keyword-arguments for the underlying solver.
+        """
+        Prepare keyword-arguments for the underlying solver.
 
-        Args:
-            parameters: List of free parameters to be fitted.
+        Parameters
+        ----------
+        parameters : List[Any]
+            List of free parameters to be fitted.
 
-        Returns:
+        Returns
+        -------
+        Dict[str, Any]
             Mapping of keyword arguments to pass into ``_run_solver``.
         """
         pass
@@ -73,36 +88,40 @@ def _prepare_solver_args(self, parameters: List[Any]) -> Dict[str, Any]:
     @abstractmethod
     def _run_solver(
         self,
-        objective_function: Callable[..., Any],
-        engine_parameters: Dict[str, Any],
-    ) -> Any:
+        objective_function: Callable[..., object],
+        engine_parameters: Dict[str, object],
+    ) -> object:
         """Execute the concrete solver and return its raw result."""
         pass
 
     @abstractmethod
     def _sync_result_to_parameters(
         self,
-        raw_result: Any,
-        parameters: List[Any],
+        raw_result: object,
+        parameters: List[object],
     ) -> None:
-        """Copy values from ``raw_result`` back to ``parameters`` in-
-        place.
-        """
+        """Copy raw_result values back to parameters in-place."""
         pass
 
     def _finalize_fit(
         self,
-        parameters: List[Any],
-        raw_result: Any,
+        parameters: List[object],
+        raw_result: object,
     ) -> FitResults:
-        """Build :class:`FitResults` and store it on ``self.result``.
-
-        Args:
-            parameters: Parameters after the solver finished.
-            raw_result: Backend-specific solver output object.
-
-        Returns:
-            FitResults: Aggregated outcome of the fit.
+        """
+        Build :class:`FitResults` and store it on ``self.result``.
+
+        Parameters
+        ----------
+        parameters : List[object]
+            Parameters after the solver finished.
+        raw_result : object
+            Backend-specific solver output object.
+
+        Returns
+        -------
+        FitResults
+            Aggregated outcome of the fit.
         """
         self._sync_result_to_parameters(parameters, raw_result)
         success = self._check_success(raw_result)
@@ -117,30 +136,39 @@ def _finalize_fit(
         return self.result
 
     @abstractmethod
-    def _check_success(self, raw_result: Any) -> bool:
+    def _check_success(self, raw_result: object) -> bool:
         """Determine whether the fit was successful."""
         pass
 
     def fit(
         self,
-        parameters: List[Any],
-        objective_function: Callable[..., Any],
+        parameters: List[object],
+        objective_function: Callable[..., object],
+        verbosity: VerbosityEnum = VerbosityEnum.FULL,
     ) -> FitResults:
-        """Run the full minimization workflow.
-
-        Args:
-            parameters: Free parameters to optimize.
-            objective_function: Callable returning residuals for a given
-                set of engine arguments.
-
-        Returns:
+        """
+        Run the full minimization workflow.
+
+        Parameters
+        ----------
+        parameters : List[object]
+            Free parameters to optimize.
+        objective_function : Callable[..., object]
+            Callable returning residuals for a given set of engine
+            arguments.
+        verbosity : VerbosityEnum, default=VerbosityEnum.FULL
+            Console output verbosity.
+
+        Returns
+        -------
+        FitResults
             FitResults with success flag, best chi2 and timing.
         """
         minimizer_name = self.name or 'Unnamed Minimizer'
         if self.method is not None:
             minimizer_name += f' ({self.method})'
 
-        self._start_tracking(minimizer_name)
+        self._start_tracking(minimizer_name, verbosity=verbosity)
 
         solver_args = self._prepare_solver_args(parameters)
         raw_result = self._run_solver(objective_function, **solver_args)
@@ -153,33 +181,33 @@ def fit(
 
     def _objective_function(
         self,
-        engine_params: Dict[str, Any],
-        parameters: List[Any],
-        sample_models: Any,
-        experiments: Any,
-        calculator: Any,
+        engine_params: Dict[str, object],
+        parameters: List[object],
+        structures: object,
+        experiments: object,
+        calculator: object,
     ) -> np.ndarray:
         """Default objective helper computing residuals array."""
         return self._compute_residuals(
             engine_params,
             parameters,
-            sample_models,
+            structures,
             experiments,
             calculator,
         )
 
     def _create_objective_function(
         self,
-        parameters: List[Any],
-        sample_models: Any,
-        experiments: Any,
-        calculator: Any,
-    ) -> Callable[[Dict[str, Any]], np.ndarray]:
+        parameters: List[object],
+        structures: object,
+        experiments: object,
+        calculator: object,
+    ) -> Callable[[Dict[str, object]], np.ndarray]:
         """Return a closure capturing problem context for the solver."""
         return lambda engine_params: self._objective_function(
             engine_params,
             parameters,
-            sample_models,
+            structures,
             experiments,
             calculator,
         )
diff --git a/src/easydiffraction/analysis/minimizers/dfols.py b/src/easydiffraction/analysis/minimizers/dfols.py
index 544d4b7a..fad9ad06 100644
--- a/src/easydiffraction/analysis/minimizers/dfols.py
+++ b/src/easydiffraction/analysis/minimizers/dfols.py
@@ -1,7 +1,6 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from typing import Any
 from typing import Dict
 from typing import List
 
@@ -9,26 +8,32 @@
 from dfols import solve
 
 from easydiffraction.analysis.minimizers.base import MinimizerBase
+from easydiffraction.analysis.minimizers.factory import MinimizerFactory
+from easydiffraction.core.metadata import TypeInfo
 
 DEFAULT_MAX_ITERATIONS = 1000
 
 
+@MinimizerFactory.register
 class DfolsMinimizer(MinimizerBase):
-    """Minimizer using the DFO-LS package (Derivative-Free Optimization
-    for Least-Squares).
-    """
+    """Minimizer using DFO-LS (derivative-free least-squares)."""
+
+    type_info = TypeInfo(
+        tag='dfols',
+        description='DFO-LS derivative-free least-squares optimization',
+    )
 
     def __init__(
         self,
         name: str = 'dfols',
         max_iterations: int = DEFAULT_MAX_ITERATIONS,
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
         super().__init__(name=name, method=None, max_iterations=max_iterations)
         # Intentionally unused, accepted for API compatibility
         del kwargs
 
-    def _prepare_solver_args(self, parameters: List[Any]) -> Dict[str, Any]:
+    def _prepare_solver_args(self, parameters: List[object]) -> Dict[str, object]:
         x0 = []
         bounds_lower = []
         bounds_upper = []
@@ -39,38 +44,49 @@ def _prepare_solver_args(self, parameters: List[Any]) -> Dict[str, Any]:
         bounds = (np.array(bounds_lower), np.array(bounds_upper))
         return {'x0': np.array(x0), 'bounds': bounds}
 
-    def _run_solver(self, objective_function: Any, **kwargs: Any) -> Any:
+    def _run_solver(self, objective_function: object, **kwargs: object) -> object:
         x0 = kwargs.get('x0')
         bounds = kwargs.get('bounds')
         return solve(objective_function, x0=x0, bounds=bounds, maxfun=self.max_iterations)
 
     def _sync_result_to_parameters(
         self,
-        parameters: List[Any],
-        raw_result: Any,
+        parameters: List[object],
+        raw_result: object,
     ) -> None:
-        """Synchronizes the result from the solver to the parameters.
+        """
+        Synchronize the solver result back to the parameters.
 
-        Args:
-            parameters: List of parameters being optimized.
-            raw_result: The result object returned by the solver.
+        Parameters
+        ----------
+        parameters : List[object]
+            List of parameters being optimized.
+        raw_result : object
+            The result object returned by the solver.
         """
         # Ensure compatibility with raw_result coming from dfols.solve()
         result_values = raw_result.x if hasattr(raw_result, 'x') else raw_result
 
         for i, param in enumerate(parameters):
-            param.value = result_values[i]
+            # Bypass validation but set the dirty flag so
+            # _update_categories() knows work is needed.
+            param._set_value_from_minimizer(result_values[i])
             # DFO-LS doesn't provide uncertainties; set to None or
             # calculate later if needed
             param.uncertainty = None
 
-    def _check_success(self, raw_result: Any) -> bool:
-        """Determines success from DFO-LS result dictionary.
+    def _check_success(self, raw_result: object) -> bool:
+        """
+        Determine success from DFO-LS result dictionary.
 
-        Args:
-            raw_result: The result object returned by the solver.
+        Parameters
+        ----------
+        raw_result : object
+            The result object returned by the solver.
 
-        Returns:
+        Returns
+        -------
+        bool
             True if the optimization was successful, False otherwise.
         """
         return raw_result.flag == raw_result.EXIT_SUCCESS
diff --git a/src/easydiffraction/analysis/minimizers/factory.py b/src/easydiffraction/analysis/minimizers/factory.py
index 0b1afaa2..18f67cc6 100644
--- a/src/easydiffraction/analysis/minimizers/factory.py
+++ b/src/easydiffraction/analysis/minimizers/factory.py
@@ -1,126 +1,15 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
+"""Minimizer factory — delegates to ``FactoryBase``."""
 
-from typing import Any
-from typing import Dict
-from typing import List
-from typing import Optional
-from typing import Type
+from __future__ import annotations
 
-from easydiffraction.analysis.minimizers.base import MinimizerBase
-from easydiffraction.analysis.minimizers.dfols import DfolsMinimizer
-from easydiffraction.analysis.minimizers.lmfit import LmfitMinimizer
-from easydiffraction.utils.logging import console
-from easydiffraction.utils.utils import render_table
+from easydiffraction.core.factory import FactoryBase
 
 
-class MinimizerFactory:
-    _available_minimizers: Dict[str, Dict[str, Any]] = {
-        'lmfit': {
-            'engine': 'lmfit',
-            'method': 'leastsq',
-            'description': 'LMFIT library using the default Levenberg-Marquardt '
-            'least squares method',
-            'class': LmfitMinimizer,
-        },
-        'lmfit (leastsq)': {
-            'engine': 'lmfit',
-            'method': 'leastsq',
-            'description': 'LMFIT library with Levenberg-Marquardt least squares method',
-            'class': LmfitMinimizer,
-        },
-        'lmfit (least_squares)': {
-            'engine': 'lmfit',
-            'method': 'least_squares',
-            'description': 'LMFIT library with SciPy’s trust region reflective algorithm',
-            'class': LmfitMinimizer,
-        },
-        'dfols': {
-            'engine': 'dfols',
-            'method': None,
-            'description': 'DFO-LS library for derivative-free least-squares optimization',
-            'class': DfolsMinimizer,
-        },
-    }
-
-    @classmethod
-    def list_available_minimizers(cls) -> List[str]:
-        """List all available minimizers.
-
-        Returns:
-            A list of minimizer names.
-        """
-        return list(cls._available_minimizers.keys())
-
-    @classmethod
-    def show_available_minimizers(cls) -> None:
-        # TODO: Rename this method to `show_supported_minimizers` for
-        #  consistency with other methods in the library. E.g.
-        #  `show_supported_calculators`, etc.
-        """Display a table of available minimizers and their
-        descriptions.
-        """
-        columns_headers: List[str] = ['Minimizer', 'Description']
-        columns_alignment = ['left', 'left']
-        columns_data: List[List[str]] = []
-        for name, config in cls._available_minimizers.items():
-            description: str = config.get('description', 'No description provided.')
-            columns_data.append([name, description])
-
-        console.paragraph('Supported minimizers')
-        render_table(
-            columns_headers=columns_headers,
-            columns_alignment=columns_alignment,
-            columns_data=columns_data,
-        )
-
-    @classmethod
-    def create_minimizer(cls, selection: str) -> MinimizerBase:
-        """Create a minimizer instance based on the selection.
-
-        Args:
-            selection: The name of the minimizer to create.
+class MinimizerFactory(FactoryBase):
+    """Factory for creating minimizer instances."""
 
-        Returns:
-            An instance of the selected minimizer.
-
-        Raises:
-            ValueError: If the selection is not a valid minimizer.
-        """
-        config = cls._available_minimizers.get(selection)
-        if not config:
-            raise ValueError(
-                f"Unknown minimizer '{selection}'. Use one of {cls.list_available_minimizers()}"
-            )
-
-        minimizer_class: Type[MinimizerBase] = config.get('class')
-        method: Optional[str] = config.get('method')
-
-        kwargs: Dict[str, Any] = {}
-        if method is not None:
-            kwargs['method'] = method
-
-        return minimizer_class(**kwargs)
-
-    @classmethod
-    def register_minimizer(
-        cls,
-        name: str,
-        minimizer_cls: Type[MinimizerBase],
-        method: Optional[str] = None,
-        description: str = 'No description provided.',
-    ) -> None:
-        """Register a new minimizer.
-
-        Args:
-            name: The name of the minimizer.
-            minimizer_cls: The class of the minimizer.
-            method: The method used by the minimizer (optional).
-            description: A description of the minimizer.
-        """
-        cls._available_minimizers[name] = {
-            'engine': name,
-            'method': method,
-            'description': description,
-            'class': minimizer_cls,
-        }
+    _default_rules = {
+        frozenset(): 'lmfit',
+    }
diff --git a/src/easydiffraction/analysis/minimizers/lmfit.py b/src/easydiffraction/analysis/minimizers/lmfit.py
index d7a651cb..771bacad 100644
--- a/src/easydiffraction/analysis/minimizers/lmfit.py
+++ b/src/easydiffraction/analysis/minimizers/lmfit.py
@@ -1,21 +1,28 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from typing import Any
 from typing import Dict
 from typing import List
 
 import lmfit
 
 from easydiffraction.analysis.minimizers.base import MinimizerBase
+from easydiffraction.analysis.minimizers.factory import MinimizerFactory
+from easydiffraction.core.metadata import TypeInfo
 
 DEFAULT_METHOD = 'leastsq'
 DEFAULT_MAX_ITERATIONS = 1000
 
 
+@MinimizerFactory.register
 class LmfitMinimizer(MinimizerBase):
     """Minimizer using the lmfit package."""
 
+    type_info = TypeInfo(
+        tag='lmfit',
+        description='LMFIT with Levenberg-Marquardt least squares',
+    )
+
     def __init__(
         self,
         name: str = 'lmfit',
@@ -30,16 +37,21 @@ def __init__(
 
     def _prepare_solver_args(
         self,
-        parameters: List[Any],
-    ) -> Dict[str, Any]:
-        """Prepares the solver arguments for the lmfit minimizer.
+        parameters: List[object],
+    ) -> Dict[str, object]:
+        """
+        Prepare the solver arguments for the lmfit minimizer.
 
-        Args:
-            parameters: List of parameters to be optimized.
+        Parameters
+        ----------
+        parameters : List[object]
+            List of parameters to be optimized.
 
-        Returns:
+        Returns
+        -------
+        Dict[str, object]
             A dictionary containing the prepared lmfit. Parameters
-                object.
+            object.
         """
         engine_parameters = lmfit.Parameters()
         for param in parameters:
@@ -52,14 +64,20 @@ def _prepare_solver_args(
             )
         return {'engine_parameters': engine_parameters}
 
-    def _run_solver(self, objective_function: Any, **kwargs: Any) -> Any:
-        """Runs the lmfit solver.
-
-        Args:
-            objective_function: The objective function to minimize.
-            **kwargs: Additional arguments for the solver.
-
-        Returns:
+    def _run_solver(self, objective_function: object, **kwargs: object) -> object:
+        """
+        Run the lmfit solver.
+
+        Parameters
+        ----------
+        objective_function : object
+            The objective function to minimize.
+        **kwargs : object
+            Additional arguments for the solver.
+
+        Returns
+        -------
+        object
             The result of the lmfit minimization.
         """
         engine_parameters = kwargs.get('engine_parameters')
@@ -74,30 +92,41 @@ def _run_solver(self, objective_function: Any, **kwargs: Any) -> Any:
 
     def _sync_result_to_parameters(
         self,
-        parameters: List[Any],
-        raw_result: Any,
+        parameters: List[object],
+        raw_result: object,
     ) -> None:
-        """Synchronizes the result from the solver to the parameters.
-
-        Args:
-            parameters: List of parameters being optimized.
-            raw_result: The result object returned by the solver.
+        """
+        Synchronize the result from the solver to the parameters.
+
+        Parameters
+        ----------
+        parameters : List[object]
+            List of parameters being optimized.
+        raw_result : object
+            The result object returned by the solver.
         """
         param_values = raw_result.params if hasattr(raw_result, 'params') else raw_result
 
         for param in parameters:
             param_result = param_values.get(param._minimizer_uid)
             if param_result is not None:
-                param._value = param_result.value  # Bypass ranges check
+                # Bypass validation but set the dirty flag so
+                # _update_categories() knows work is needed.
+                param._set_value_from_minimizer(param_result.value)
                 param.uncertainty = getattr(param_result, 'stderr', None)
 
-    def _check_success(self, raw_result: Any) -> bool:
-        """Determines success from lmfit MinimizerResult.
+    def _check_success(self, raw_result: object) -> bool:
+        """
+        Determine success from lmfit MinimizerResult.
 
-        Args:
-            raw_result: The result object returned by the solver.
+        Parameters
+        ----------
+        raw_result : object
+            The result object returned by the solver.
 
-        Returns:
+        Returns
+        -------
+        bool
             True if the optimization was successful, False otherwise.
         """
         return getattr(raw_result, 'success', False)
@@ -106,18 +135,25 @@ def _iteration_callback(
         self,
         params: lmfit.Parameters,
         iter: int,
-        resid: Any,
-        *args: Any,
-        **kwargs: Any,
+        resid: object,
+        *args: object,
+        **kwargs: object,
     ) -> None:
-        """Callback function for each iteration of the minimizer.
-
-        Args:
-            params: The current parameters.
-            iter: The current iteration number.
-            resid: The residuals.
-            *args: Additional positional arguments.
-            **kwargs: Additional keyword arguments.
+        """
+        Handle each iteration callback of the minimizer.
+
+        Parameters
+        ----------
+        params : lmfit.Parameters
+            The current parameters.
+        iter : int
+            The current iteration number.
+        resid : object
+            The residuals.
+        *args : object
+            Additional positional arguments.
+        **kwargs : object
+            Additional keyword arguments.
         """
         # Intentionally unused, required by callback signature
         del params, resid, args, kwargs
diff --git a/src/easydiffraction/core/__init__.py b/src/easydiffraction/core/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/core/__init__.py
+++ b/src/easydiffraction/core/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/core/category.py b/src/easydiffraction/core/category.py
index 6be057da..25e81894 100644
--- a/src/easydiffraction/core/category.py
+++ b/src/easydiffraction/core/category.py
@@ -1,17 +1,19 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
 
 from easydiffraction.core.collection import CollectionBase
 from easydiffraction.core.guard import GuardedBase
-from easydiffraction.core.parameters import GenericDescriptorBase
-from easydiffraction.core.validation import checktype
+from easydiffraction.core.variable import GenericDescriptorBase
+from easydiffraction.core.variable import GenericStringDescriptor
 from easydiffraction.io.cif.serialize import category_collection_from_cif
 from easydiffraction.io.cif.serialize import category_collection_to_cif
 from easydiffraction.io.cif.serialize import category_item_from_cif
 from easydiffraction.io.cif.serialize import category_item_to_cif
 
+# ======================================================================
+
 
 class CategoryItem(GuardedBase):
     """Base class for items in a category collection."""
@@ -28,12 +30,13 @@ def __str__(self) -> str:
         return f'<{name} ({params})>'
 
     # TODO: Common for all categories
-    def _update(self, called_by_minimizer=False):
+    def _update(self, called_by_minimizer: bool = False) -> None:
         del called_by_minimizer
         pass
 
     @property
-    def unique_name(self):
+    def unique_name(self) -> str:
+        """Fully qualified name: datablock, category, entry."""
         parts = [
             self._identity.datablock_entry_name,
             self._identity.category_code,
@@ -44,7 +47,8 @@ def unique_name(self):
         return '.'.join(str_parts)
 
     @property
-    def parameters(self):
+    def parameters(self) -> list:
+        """All GenericDescriptorBase instances on this item."""
         return [v for v in vars(self).values() if isinstance(v, GenericDescriptorBase)]
 
     @property
@@ -52,13 +56,114 @@ def as_cif(self) -> str:
         """Return CIF representation of this object."""
         return category_item_to_cif(self)
 
-    def from_cif(self, block, idx=0):
+    def from_cif(self, block: object, idx: int = 0) -> None:
         """Populate this item from a CIF block."""
         category_item_from_cif(self, block, idx)
 
+    def help(self) -> None:
+        """Print parameters, other properties, and methods."""
+        from easydiffraction.utils.logging import console
+        from easydiffraction.utils.utils import render_table
+
+        cls = type(self)
+        console.paragraph(f"Help for '{cls.__name__}'")
+
+        # Deduplicate properties
+        seen: dict = {}
+        for key, prop in cls._iter_properties():
+            if key not in seen:
+                seen[key] = prop
+
+        # Split into descriptor-backed and other
+        param_rows = []
+        other_rows = []
+        p_idx = 0
+        o_idx = 0
+        for key in sorted(seen):
+            prop = seen[key]
+            try:
+                val = getattr(self, key)
+            except Exception:
+                val = None
+            if isinstance(val, GenericDescriptorBase):
+                p_idx += 1
+                type_str = 'string' if isinstance(val, GenericStringDescriptor) else 'numeric'
+                writable = '✓' if prop.fset else '✗'
+                param_rows.append([
+                    str(p_idx),
+                    key,
+                    type_str,
+                    str(val.value),
+                    writable,
+                    val.description or '',
+                ])
+            else:
+                o_idx += 1
+                writable = '✓' if prop.fset else '✗'
+                doc = self._first_sentence(prop.fget.__doc__ if prop.fget else None)
+                other_rows.append([str(o_idx), key, writable, doc])
+
+        if param_rows:
+            console.paragraph('Parameters')
+            render_table(
+                columns_headers=[
+                    '#',
+                    'Name',
+                    'Type',
+                    'Value',
+                    'Writable',
+                    'Description',
+                ],
+                columns_alignment=[
+                    'right',
+                    'left',
+                    'left',
+                    'right',
+                    'center',
+                    'left',
+                ],
+                columns_data=param_rows,
+            )
+
+        if other_rows:
+            console.paragraph('Other properties')
+            render_table(
+                columns_headers=[
+                    '#',
+                    'Name',
+                    'Writable',
+                    'Description',
+                ],
+                columns_alignment=[
+                    'right',
+                    'left',
+                    'center',
+                    'left',
+                ],
+                columns_data=other_rows,
+            )
+
+        methods = dict(cls._iter_methods())
+        method_rows = []
+        for i, key in enumerate(sorted(methods), 1):
+            doc = self._first_sentence(getattr(methods[key], '__doc__', None))
+            method_rows.append([str(i), f'{key}()', doc])
+
+        if method_rows:
+            console.paragraph('Methods')
+            render_table(
+                columns_headers=['#', 'Name', 'Description'],
+                columns_alignment=['right', 'left', 'left'],
+                columns_data=method_rows,
+            )
+
+
+# ======================================================================
+
 
 class CategoryCollection(CollectionBase):
-    """Handles loop-style category containers (e.g. AtomSites).
+    """
+    Handles loop-style category containers (e.g. AtomSites).
 
     Each item is a CategoryItem (component).
     """
@@ -66,6 +171,22 @@ class CategoryCollection(CollectionBase):
     # TODO: Common for all categories
     _update_priority = 10  # Default. Lower values run first.
 
+    def _key_for(self, item: object) -> str | None:
+        """Return the category-level identity key for *item*."""
+        return item._identity.category_entry_name
+
+    def _mark_parent_dirty(self) -> None:
+        """
+        Set ``_need_categories_update`` on the parent datablock.
+
+        Called whenever the collection content changes (items added or
+        removed) so that subsequent ``_update_categories()`` calls re-
+        run all category updates.
+        """
+        parent = getattr(self, '_parent', None)
+        if parent is not None and hasattr(parent, '_need_categories_update'):
+            parent._need_categories_update = True
+
     def __str__(self) -> str:
         """Human-readable representation of this component."""
         name = self._log_name
@@ -73,16 +194,17 @@ def __str__(self) -> str:
         return f'<{name} collection ({size} items)>'
 
     # TODO: Common for all categories
-    def _update(self, called_by_minimizer=False):
+    def _update(self, called_by_minimizer: bool = False) -> None:
         del called_by_minimizer
         pass
 
     @property
-    def unique_name(self):
+    def unique_name(self) -> str | None:
+        """Return None; collections have no unique name."""
         return None
 
     @property
-    def parameters(self):
+    def parameters(self) -> list:
         """All parameters from all items in this collection."""
         params = []
         for item in self._items:
@@ -94,22 +216,37 @@ def as_cif(self) -> str:
         """Return CIF representation of this object."""
         return category_collection_to_cif(self)
 
-    def from_cif(self, block):
+    def from_cif(self, block: object) -> None:
         """Populate this collection from a CIF block."""
         category_collection_from_cif(self, block)
 
-    @checktype
-    def _add(self, item) -> None:
-        """Add an item to the collection."""
+    def add(self, item: object) -> None:
+        """
+        Insert or replace a pre-built item into the collection.
+
+        Parameters
+        ----------
+        item : object
+            A ``CategoryItem`` instance to add.
+        """
         self[item._identity.category_entry_name] = item
+        self._mark_parent_dirty()
+
+    def create(self, **kwargs: object) -> None:
+        """
+        Create a new item with the given attributes and add it.
+
+        A default instance of the collection's item type is created,
+        then each keyword argument is applied via ``setattr``.
 
-    # TODO: Disallow args and only allow kwargs?
-    # TODO: Check kwargs as for, e.g.,
-    #  ExperimentFactory.create(**kwargs)?
-    @checktype
-    def add(self, *args, **kwargs) -> None:
-        """Create and add a new child instance from the provided
-        arguments.
+        Parameters
+        ----------
+        **kwargs : object
+            Attribute names and values for the new item.
         """
-        child_obj = self._item_type(*args, **kwargs)
-        self._add(child_obj)
+        child_obj = self._item_type()
+
+        for attr, val in kwargs.items():
+            setattr(child_obj, attr, val)
+
+        self.add(child_obj)
diff --git a/src/easydiffraction/core/collection.py b/src/easydiffraction/core/collection.py
index a84bdb51..8f590b07 100644
--- a/src/easydiffraction/core/collection.py
+++ b/src/easydiffraction/core/collection.py
@@ -1,48 +1,72 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Lightweight container for guarded items with name-based indexing.
+"""
+Lightweight container for guarded items with name-based indexing.
 
-`CollectionBase` maintains an ordered list of items and a lazily rebuilt
-index by the item's identity key. It supports dict-like access for get,
-set and delete, along with iteration over the items.
+``CollectionBase`` maintains an ordered list of items and a lazily
+rebuilt index by the item's identity key. It supports dict-like access
+for get, set and delete, along with iteration over the items.
 """
 
 from __future__ import annotations
 
+from typing import Generator
+from typing import Iterator
+
 from easydiffraction.core.guard import GuardedBase
 
 
 class CollectionBase(GuardedBase):
-    """A minimal collection with stable iteration and name indexing.
+    """
+    A minimal collection with stable iteration and name indexing.
 
-    Args:
-        item_type: Type of items accepted by the collection. Used for
-            validation and tooling; not enforced at runtime here.
+    Parameters
+    ----------
+    item_type : type
+        Type of items accepted by the collection. Used for validation
+        and tooling; not enforced at runtime here.
     """
 
-    def __init__(self, item_type) -> None:
+    def __init__(self, item_type: type) -> None:
         super().__init__()
         self._items: list = []
         self._index: dict = {}
         self._item_type = item_type
 
-    def __getitem__(self, name: str):
-        """Return an item by its identity key.
-
-        Rebuilds the internal index on a cache miss to stay consistent
-        with recent mutations.
+    def __getitem__(self, key: str | int) -> GuardedBase:
         """
-        try:
-            return self._index[name]
-        except KeyError:
-            self._rebuild_index()
-            return self._index[name]
+        Return an item by name or positional index.
+
+        Parameters
+        ----------
+        key : str | int
+            Identity key (str) or zero-based positional index (int).
+
+        Returns
+        -------
+        GuardedBase
+            The item matching the given key or index.
+
+        Raises
+        ------
+        TypeError
+            If *key* is neither ``str`` nor ``int``.
+        """
+        if isinstance(key, int):
+            return self._items[key]
+        if isinstance(key, str):
+            try:
+                return self._index[key]
+            except KeyError:
+                self._rebuild_index()
+                return self._index[key]
+        raise TypeError(f'Collection indices must be str or int, not {type(key).__name__}')
 
-    def __setitem__(self, name: str, item) -> None:
+    def __setitem__(self, name: str, item: GuardedBase) -> None:
         """Insert or replace an item under the given identity key."""
-        # Check if item with same identity exists; if so, replace it
+        # Check if item with same key exists; if so, replace it
         for i, existing_item in enumerate(self._items):
-            if existing_item._identity.category_entry_name == name:
+            if self._key_for(existing_item) == name:
                 self._items[i] = item
                 self._rebuild_index()
                 return
@@ -53,16 +77,20 @@ def __setitem__(self, name: str, item) -> None:
 
     def __delitem__(self, name: str) -> None:
         """Delete an item by key or raise ``KeyError`` if missing."""
-        # Remove from _items by identity entry name
         for i, item in enumerate(self._items):
-            if item._identity.category_entry_name == name:
+            if self._key_for(item) == name:
                 object.__setattr__(item, '_parent', None)  # Unlink the parent before removal
                 del self._items[i]
                 self._rebuild_index()
                 return
         raise KeyError(name)
 
-    def __iter__(self):
+    def __contains__(self, name: str) -> bool:
+        """Check whether an item with the given key exists."""
+        self._rebuild_index()
+        return name in self._index
+
+    def __iter__(self) -> Iterator[GuardedBase]:
         """Iterate over items in insertion order."""
         return iter(self._items)
 
@@ -70,9 +98,31 @@ def __len__(self) -> int:
         """Return the number of items in the collection."""
         return len(self._items)
 
-    def _key_for(self, item):
-        """Return the identity key for ``item`` (category or
-        datablock).
+    def remove(self, name: str) -> None:
+        """
+        Remove an item by its key.
+
+        Parameters
+        ----------
+        name : str
+            Identity key of the item to remove.
+
+        Raises
+        ------
+        KeyError
+            If no item with the given key exists.
+        """
+        try:
+            del self[name]
+        except KeyError:
+            raise
+
+    def _key_for(self, item: GuardedBase) -> str | None:
+        """
+        Return the identity key for *item*.
+
+        Subclasses must override to return the appropriate key
+        (``category_entry_name`` or ``datablock_entry_name``).
         """
         return item._identity.category_entry_name or item._identity.datablock_entry_name
 
@@ -84,19 +134,41 @@ def _rebuild_index(self) -> None:
             if key:
                 self._index[key] = item
 
-    def keys(self):
+    def keys(self) -> Generator[str | None, None, None]:
         """Yield keys for all items in insertion order."""
         return (self._key_for(item) for item in self._items)
 
-    def values(self):
+    def values(self) -> Generator[GuardedBase, None, None]:
         """Yield items in insertion order."""
         return (item for item in self._items)
 
-    def items(self):
+    def items(self) -> Generator[tuple[str | None, GuardedBase], None, None]:
         """Yield ``(key, item)`` pairs in insertion order."""
         return ((self._key_for(item), item) for item in self._items)
 
     @property
-    def names(self):
+    def names(self) -> list[str | None]:
         """List of all item keys in the collection."""
         return list(self.keys())
+
+    def help(self) -> None:
+        """Print a summary of public attributes and contained items."""
+        super().help()
+
+        from easydiffraction.utils.logging import console
+        from easydiffraction.utils.utils import render_table
+
+        if self._items:
+            console.paragraph(f'Items ({len(self._items)})')
+            rows = []
+            for i, item in enumerate(self._items, 1):
+                key = self._key_for(item)
+                rows.append([str(i), str(key), f"['{key}']"])
+            render_table(
+                columns_headers=['#', 'Name', 'Access'],
+                columns_alignment=['right', 'left', 'left'],
+                columns_data=rows,
+            )
+        else:
+            console.paragraph('Items')
+            console.print('(empty)')
diff --git a/src/easydiffraction/core/datablock.py b/src/easydiffraction/core/datablock.py
index a8cc0ed8..6a1ef289 100644
--- a/src/easydiffraction/core/datablock.py
+++ b/src/easydiffraction/core/datablock.py
@@ -1,37 +1,43 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
 
-from typeguard import typechecked
-
 from easydiffraction.core.category import CategoryCollection
 from easydiffraction.core.category import CategoryItem
 from easydiffraction.core.collection import CollectionBase
 from easydiffraction.core.guard import GuardedBase
-from easydiffraction.core.parameters import Parameter
+from easydiffraction.core.variable import Parameter
 
 
 class DatablockItem(GuardedBase):
     """Base class for items in a datablock collection."""
 
-    def __init__(self):
+    def __init__(self) -> None:
         super().__init__()
-        self._need_categories_update = False
+        self._need_categories_update = True
 
     def __str__(self) -> str:
         """Human-readable representation of this component."""
-        name = self._log_name
-        items = getattr(self, '_items', None)
-        return f'<{name} ({items})>'
+        name = self.unique_name
+        cls = type(self).__name__
+        categories = '\n'.join(f'  - {c}' for c in self.categories)
+        return f"{cls} datablock '{name}':\n{categories}"
+
+    def __repr__(self) -> str:
+        """Developer-oriented representation of this component."""
+        name = self.unique_name
+        cls = type(self).__name__
+        num_categories = len(self.categories)
+        return f'<{cls} datablock "{name}" ({num_categories} categories)>'
 
     def _update_categories(
         self,
-        called_by_minimizer=False,
+        called_by_minimizer: bool = False,
     ) -> None:
         # TODO: Make abstract method and implement in subclasses.
         # This should call apply_symmetry and apply_constraints in the
-        # case of sample models. In the case of experiments, it should
+        # case of structures. In the case of experiments, it should
         # run calculations to update the "data" categories.
         # Any parameter change should set _need_categories_update to
         # True.
@@ -40,9 +46,15 @@ def _update_categories(
         # Should this be also called when parameters are accessed? E.g.
         # if one change background coefficients, then access the
         # background points in the data category?
-        # return
-        # if not self._need_categories_update:
-        #    return
+        #
+        # Dirty-flag guard: skip if no parameter has changed since the
+        # last update.  Minimisers use _set_value_from_minimizer()
+        # which bypasses validation but still sets this flag.
+        # During fitting the guard is bypassed because experiment
+        # calculations depend on structure parameters owned by a
+        # different DatablockItem whose flag changes are invisible here.
+        if not called_by_minimizer and not self._need_categories_update:
+            return
 
         for category in self.categories:
             category._update(called_by_minimizer=called_by_minimizer)
@@ -50,11 +62,13 @@ def _update_categories(
         self._need_categories_update = False
 
     @property
-    def unique_name(self):
+    def unique_name(self) -> str | None:
+        """Unique name of this datablock item (from identity)."""
         return self._identity.datablock_entry_name
 
     @property
-    def categories(self):
+    def categories(self) -> list:
+        """All category objects in this datablock by priority."""
         cats = [
             v for v in vars(self).values() if isinstance(v, (CategoryItem, CategoryCollection))
         ]
@@ -62,10 +76,8 @@ def categories(self):
         return sorted(cats, key=lambda c: type(c)._update_priority)
 
     @property
-    def parameters(self):
-        """All parameters from all categories contained in this
-        datablock.
-        """
+    def parameters(self) -> list:
+        """All parameters from all categories in this datablock."""
         params = []
         for v in self.categories:
             params.extend(v.parameters)
@@ -79,14 +91,59 @@ def as_cif(self) -> str:
         self._update_categories()
         return datablock_item_to_cif(self)
 
+    def help(self) -> None:
+        """Print a summary of public attributes and categories."""
+        super().help()
+
+        from easydiffraction.utils.logging import console
+        from easydiffraction.utils.utils import render_table
+
+        cats = self.categories
+        if cats:
+            console.paragraph('Categories')
+            rows = []
+            for c in cats:
+                code = c._identity.category_code or type(c).__name__
+                type_name = type(c).__name__
+                num_params = len(c.parameters)
+                rows.append([code, type_name, str(num_params)])
+            render_table(
+                columns_headers=['Category', 'Type', '# Parameters'],
+                columns_alignment=['left', 'left', 'right'],
+                columns_data=rows,
+            )
+
+
+# ======================================================================
+
 
 class DatablockCollection(CollectionBase):
-    """Handles top-level category collections (e.g. SampleModels,
-    Experiments).
+    """
+    Collection of top-level datablocks (e.g. Structures, Experiments).
 
     Each item is a DatablockItem.
+
+    Subclasses provide explicit ``add_from_*`` convenience methods that
+    delegate to the corresponding factory classmethods, then call
+    :meth:`add` with the resulting item.
     """
 
+    def _key_for(self, item: object) -> str | None:
+        """Return the datablock-level identity key for *item*."""
+        return item._identity.datablock_entry_name
+
+    def add(self, item: object) -> None:
+        """
+        Add a pre-built item to the collection.
+
+        Parameters
+        ----------
+        item : object
+            A ``DatablockItem`` instance (e.g. a ``Structure`` or
+            ``ExperimentBase`` subclass).
+        """
+        self[item._identity.datablock_entry_name] = item
+
     def __str__(self) -> str:
         """Human-readable representation of this component."""
         name = self._log_name
@@ -94,25 +151,26 @@ def __str__(self) -> str:
         return f'<{name} collection ({size} items)>'
 
     @property
-    def unique_name(self):
+    def unique_name(self) -> str | None:
+        """Return None; collections have no unique name."""
         return None
 
     @property
-    def parameters(self):
+    def parameters(self) -> list:
         """All parameters from all datablocks in this collection."""
         params = []
         for db in self._items:
             params.extend(db.parameters)
         return params
 
-    # was in class AbstractDatablock(ABC):
     @property
     def fittable_parameters(self) -> list:
+        """All non-constrained Parameters in this collection."""
         return [p for p in self.parameters if isinstance(p, Parameter) and not p.constrained]
 
-    # was in class AbstractDatablock(ABC):
     @property
     def free_parameters(self) -> list:
+        """All fittable parameters that are currently marked as free."""
         return [p for p in self.fittable_parameters if p.free]
 
     @property
@@ -121,8 +179,3 @@ def as_cif(self) -> str:
         from easydiffraction.io.cif.serialize import datablock_collection_to_cif
 
         return datablock_collection_to_cif(self)
-
-    @typechecked
-    def _add(self, item) -> None:
-        """Add an item to the collection."""
-        self[item._identity.datablock_entry_name] = item
diff --git a/src/easydiffraction/core/diagnostic.py b/src/easydiffraction/core/diagnostic.py
index 74c2ab3b..dc5ea4c4 100644
--- a/src/easydiffraction/core/diagnostic.py
+++ b/src/easydiffraction/core/diagnostic.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Diagnostics helpers for logging validation messages.
+"""
+Diagnostics helpers for logging validation messages.
 
 This module centralizes human-friendly error and debug logs for
 attribute validation and configuration checks.
@@ -19,8 +20,9 @@ class Diagnostics:
     # ==============================================================
 
     @staticmethod
-    def type_override_error(cls_name: str, expected, got):
-        """Report an invalid DataTypes override.
+    def type_override_error(cls_name: str, expected: object, got: object) -> None:
+        """
+        Report an invalid DataTypes override.
 
         Used when descriptor and AttributeSpec types conflict.
         """
@@ -41,7 +43,7 @@ def type_override_error(cls_name: str, expected, got):
     def readonly_error(
         name: str,
         key: str | None = None,
-    ):
+    ) -> None:
         """Log an attempt to change a read-only attribute."""
         Diagnostics._log_error(
             f"Cannot modify read-only attribute '{key}' of <{name}>.",
@@ -53,11 +55,9 @@ def attr_error(
         name: str,
         key: str,
         allowed: set[str],
-        label='Allowed',
-    ):
-        """Log access to an unknown attribute and suggest closest
-        key.
-        """
+        label: str = 'Allowed',
+    ) -> None:
+        """Log unknown attribute access and suggest closest key."""
         suggestion = Diagnostics._build_suggestion(key, allowed)
         # Use consistent (label) logic for allowed
         hint = suggestion or Diagnostics._build_allowed(allowed, label=label)
@@ -73,11 +73,11 @@ def attr_error(
     @staticmethod
     def type_mismatch(
         name: str,
-        value,
-        expected_type,
-        current=None,
-        default=None,
-    ):
+        value: object,
+        expected_type: object,
+        current: object = None,
+        default: object = None,
+    ) -> None:
         """Log a type mismatch and keep current or default value."""
         got_type = type(value).__name__
         msg = (
@@ -91,12 +91,12 @@ def type_mismatch(
     @staticmethod
     def range_mismatch(
         name: str,
-        value,
-        ge,
-        le,
-        current=None,
-        default=None,
-    ):
+        value: object,
+        ge: float,
+        le: float,
+        current: object = None,
+        default: object = None,
+    ) -> None:
         """Log range violation for a numeric value."""
         msg = f'Value mismatch for <{name}>. Provided {value!r} outside [{ge}, {le}].'
         Diagnostics._log_error_with_fallback(
@@ -106,11 +106,11 @@ def range_mismatch(
     @staticmethod
     def choice_mismatch(
         name: str,
-        value,
-        allowed,
-        current=None,
-        default=None,
-    ):
+        value: object,
+        allowed: object,
+        current: object = None,
+        default: object = None,
+    ) -> None:
         """Log an invalid choice against allowed values."""
         msg = f'Value mismatch for <{name}>. Provided {value!r} is unknown.'
         if allowed is not None:
@@ -122,11 +122,11 @@ def choice_mismatch(
     @staticmethod
     def regex_mismatch(
         name: str,
-        value,
-        pattern,
-        current=None,
-        default=None,
-    ):
+        value: object,
+        pattern: str,
+        current: object = None,
+        default: object = None,
+    ) -> None:
         """Log a regex mismatch with the expected pattern."""
         msg = (
             f"Value mismatch for <{name}>. Provided {value!r} does not match pattern '{pattern}'."
@@ -136,24 +136,24 @@ def regex_mismatch(
         )
 
     @staticmethod
-    def no_value(name, default):
+    def no_value(name: str, default: object) -> None:
         """Log that default will be used due to missing value."""
         Diagnostics._log_debug(f'No value provided for <{name}>. Using default {default!r}.')
 
     @staticmethod
-    def none_value(name):
+    def none_value(name: str) -> None:
         """Log explicit None provided by a user."""
         Diagnostics._log_debug(f'Using `None` explicitly provided for <{name}>.')
 
     @staticmethod
-    def none_value_skip_range(name):
+    def none_value_skip_range(name: str) -> None:
         """Log that range validation is skipped due to None."""
         Diagnostics._log_debug(
             f'Skipping range validation as `None` is explicitly provided for <{name}>.'
         )
 
     @staticmethod
-    def validated(name, value, stage: str | None = None):
+    def validated(name: str, value: object, stage: str | None = None) -> None:
         """Log that a value passed a validation stage."""
         stage_info = f' {stage}' if stage else ''
         Diagnostics._log_debug(f'Value {value!r} for <{name}> passed{stage_info} validation.')
@@ -163,17 +163,17 @@ def validated(name, value, stage: str | None = None):
     # ==============================================================
 
     @staticmethod
-    def _log_error(msg, exc_type=Exception):
+    def _log_error(msg: str, exc_type: type[Exception] = Exception) -> None:
         """Emit an error-level message via shared logger."""
         log.error(msg, exc_type=exc_type)
 
     @staticmethod
     def _log_error_with_fallback(
-        msg,
-        current=None,
-        default=None,
-        exc_type=Exception,
-    ):
+        msg: str,
+        current: object = None,
+        default: object = None,
+        exc_type: type[Exception] = Exception,
+    ) -> None:
         """Emit an error message and mention kept or default value."""
         if current is not None:
             msg += f' Keeping current {current!r}.'
@@ -182,7 +182,7 @@ def _log_error_with_fallback(
         log.error(msg, exc_type=exc_type)
 
     @staticmethod
-    def _log_debug(msg):
+    def _log_debug(msg: str) -> None:
         """Emit a debug-level message via shared logger."""
         log.debug(msg)
 
@@ -191,7 +191,7 @@ def _log_debug(msg):
     # ==============================================================
 
     @staticmethod
-    def _suggest(key: str, allowed: set[str]):
+    def _suggest(key: str, allowed: set[str]) -> str | None:
         """Suggest closest allowed key using string similarity."""
         if not allowed:
             return None
@@ -200,12 +200,12 @@ def _suggest(key: str, allowed: set[str]):
         return matches[0] if matches else None
 
     @staticmethod
-    def _build_suggestion(key: str, allowed: set[str]):
+    def _build_suggestion(key: str, allowed: set[str]) -> str:
         s = Diagnostics._suggest(key, allowed)
         return f" Did you mean '{s}'?" if s else ''
 
     @staticmethod
-    def _build_allowed(allowed, label='Allowed attributes'):
+    def _build_allowed(allowed: object, label: str = 'Allowed attributes') -> str:
         # allowed may be a set, list, or other iterable
         if allowed:
             allowed_list = list(allowed)
diff --git a/src/easydiffraction/core/factory.py b/src/easydiffraction/core/factory.py
index 3500768f..af99217a 100644
--- a/src/easydiffraction/core/factory.py
+++ b/src/easydiffraction/core/factory.py
@@ -1,36 +1,271 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
+"""
+Base factory with registration, lookup, and context-dependent defaults.
 
-from typing import Iterable
-from typing import Mapping
+Concrete factories inherit from ``FactoryBase`` and only need to define
+``_default_rules``.
+"""
+
+from __future__ import annotations
+
+from typing import Any
+from typing import Dict
+from typing import FrozenSet
+from typing import List
+from typing import Tuple
+from typing import Type
+
+from easydiffraction.utils.logging import console
+from easydiffraction.utils.utils import render_table
 
 
 class FactoryBase:
-    """Reusable argument validation mixin."""
+    """
+    Shared base for all factories.
+
+    Subclasses must set:
+
+    * ``_default_rules`` -- mapping of ``frozenset`` conditions to tag
+    strings.  Use ``frozenset(): 'tag'`` for a universal default.
+
+    The ``__init_subclass__`` hook ensures every subclass gets its own
+    independent ``_registry`` list.
+    """
+
+    _registry: List[Type] = []
+    _default_rules: Dict[FrozenSet[Tuple[str, Any]], str] = {}
+
+    def __init_subclass__(cls, **kwargs: object) -> None:
+        """Give each subclass its own independent registry and rules."""
+        super().__init_subclass__(**kwargs)
+        cls._registry = []
+        if '_default_rules' not in cls.__dict__:
+            cls._default_rules = {}
+
+    # ------------------------------------------------------------------
+    # Registration
+    # ------------------------------------------------------------------
+
+    @classmethod
+    def register(cls, klass: type) -> type:
+        """
+        Class decorator to register a concrete class.
+
+        Usage::
+
+        @SomeFactory.register class MyClass(SomeBase):     type_info =
+        TypeInfo(...)
+
+        Returns the class unmodified.
+        """
+        cls._registry.append(klass)
+        return klass
+
+    # ------------------------------------------------------------------
+    # Supported-map helpers
+    # ------------------------------------------------------------------
+
+    @classmethod
+    def _supported_map(cls) -> Dict[str, Type]:
+        """Build ``{tag: class}`` from all registered classes."""
+        return {klass.type_info.tag: klass for klass in cls._registry}
+
+    @classmethod
+    def supported_tags(cls) -> List[str]:
+        """Return list of all supported tags."""
+        return list(cls._supported_map().keys())
+
+    # ------------------------------------------------------------------
+    # Default resolution
+    # ------------------------------------------------------------------
+
+    @classmethod
+    def default_tag(cls, **conditions: object) -> str:
+        """
+        Resolve the default tag for a given experimental context.
+
+        Uses *largest-subset matching*: the rule whose key is the
+        biggest subset of the given conditions wins. A rule with an
+        empty key (``frozenset()``) acts as a universal fallback.
+
+        Parameters
+        ----------
+        **conditions : object
+            Experimental-axis values, e.g.
+            ``scattering_type=ScatteringTypeEnum.BRAGG``.
 
-    @staticmethod
-    def _validate_args(
-        present: set[str],
-        allowed_specs: Iterable[Mapping[str, Iterable[str]]],
-        factory_name: str,
+        Returns
+        -------
+        str
+            The resolved default tag string.
+
+        Raises
+        ------
+        ValueError
+            If no rule matches the given conditions.
+        """
+        condition_set = frozenset(conditions.items())
+        best_match_tag: str | None = None
+        best_match_size = -1
+
+        for rule_key, rule_tag in cls._default_rules.items():
+            if rule_key <= condition_set and len(rule_key) > best_match_size:
+                best_match_tag = rule_tag
+                best_match_size = len(rule_key)
+
+        if best_match_tag is None:
+            raise ValueError(
+                f'No default rule matches conditions {dict(conditions)}. '
+                f'Available rules: {cls._default_rules}'
+            )
+        return best_match_tag
+
+    # ------------------------------------------------------------------
+    # Creation
+    # ------------------------------------------------------------------
+
+    @classmethod
+    def create(cls, tag: str, **kwargs: object) -> object:
+        """
+        Instantiate a registered class by *tag*.
+
+        Parameters
+        ----------
+        tag : str
+            ``type_info.tag`` value.
+        **kwargs : object
+            Forwarded to the class constructor.
+
+        Returns
+        -------
+        object
+            A new instance of the registered class.
+
+        Raises
+        ------
+        ValueError
+            If *tag* is not in the registry.
+        """
+        supported = cls._supported_map()
+        if tag not in supported:
+            raise ValueError(f"Unsupported type: '{tag}'. Supported: {list(supported.keys())}")
+        return supported[tag](**kwargs)
+
+    @classmethod
+    def create_default_for(cls, **conditions: object) -> object:
+        """
+        Instantiate the default class for a given context.
+
+        Combines ``default_tag(**conditions)`` with ``create(tag)``.
+
+        Parameters
+        ----------
+        **conditions : object
+            Experimental-axis values.
+
+        Returns
+        -------
+        object
+            A new instance of the default class.
+        """
+        tag = cls.default_tag(**conditions)
+        return cls.create(tag)
+
+    # ------------------------------------------------------------------
+    # Querying
+    # ------------------------------------------------------------------
+
+    @classmethod
+    def supported_for(
+        cls,
+        *,
+        calculator: object = None,
+        sample_form: object = None,
+        scattering_type: object = None,
+        beam_mode: object = None,
+        radiation_probe: object = None,
+    ) -> List[Type]:
+        """
+        Return classes matching conditions and/or calculator.
+
+        Parameters
+        ----------
+        calculator : object, default=None
+            Optional ``CalculatorEnum`` value.
+        sample_form : object, default=None
+            Optional ``SampleFormEnum`` value.
+        scattering_type : object, default=None
+            Optional ``ScatteringTypeEnum`` value.
+        beam_mode : object, default=None
+            Optional ``BeamModeEnum`` value.
+        radiation_probe : object, default=None
+            Optional ``RadiationProbeEnum`` value.
+
+        Returns
+        -------
+        List[Type]
+            Classes matching the given conditions.
+        """
+        result = []
+        for klass in cls._supported_map().values():
+            compat = getattr(klass, 'compatibility', None)
+            if compat and not compat.supports(
+                sample_form=sample_form,
+                scattering_type=scattering_type,
+                beam_mode=beam_mode,
+                radiation_probe=radiation_probe,
+            ):
+                continue
+            calc_support = getattr(klass, 'calculator_support', None)
+            if calculator and calc_support and not calc_support.supports(calculator):
+                continue
+            result.append(klass)
+        return result
+
+    # ------------------------------------------------------------------
+    # Display
+    # ------------------------------------------------------------------
+
+    @classmethod
+    def show_supported(
+        cls,
+        *,
+        calculator: object = None,
+        sample_form: object = None,
+        scattering_type: object = None,
+        beam_mode: object = None,
+        radiation_probe: object = None,
     ) -> None:
-        """Validate provided arguments against allowed combinations."""
-        for spec in allowed_specs:
-            required = set(spec.get('required', []))
-            optional = set(spec.get('optional', []))
-            if required.issubset(present) and present <= (required | optional):
-                return  # valid combo
-        # build readable error message
-        combos = []
-        for spec in allowed_specs:
-            req = ', '.join(spec.get('required', []))
-            opt = ', '.join(spec.get('optional', []))
-            if opt:
-                combos.append(f'({req}[, {opt}])')
-            else:
-                combos.append(f'({req})')
-        raise ValueError(
-            f'Invalid argument combination for {factory_name} creation.\n'
-            f'Provided: {sorted(present)}\n'
-            f'Allowed combinations:\n  ' + '\n  '.join(combos)
+        """
+        Pretty-print a table of supported types.
+
+        Parameters
+        ----------
+        calculator : object, default=None
+            Optional ``CalculatorEnum`` filter.
+        sample_form : object, default=None
+            Optional ``SampleFormEnum`` filter.
+        scattering_type : object, default=None
+            Optional ``ScatteringTypeEnum`` filter.
+        beam_mode : object, default=None
+            Optional ``BeamModeEnum`` filter.
+        radiation_probe : object, default=None
+            Optional ``RadiationProbeEnum`` filter.
+        """
+        matching = cls.supported_for(
+            calculator=calculator,
+            sample_form=sample_form,
+            scattering_type=scattering_type,
+            beam_mode=beam_mode,
+            radiation_probe=radiation_probe,
+        )
+        columns_headers = ['Type', 'Description']
+        columns_alignment = ['left', 'left']
+        columns_data = [[klass.type_info.tag, klass.type_info.description] for klass in matching]
+        console.paragraph('Supported types')
+        render_table(
+            columns_headers=columns_headers,
+            columns_alignment=columns_alignment,
+            columns_data=columns_data,
         )
diff --git a/src/easydiffraction/core/guard.py b/src/easydiffraction/core/guard.py
index 0979f4cd..17b60fb5 100644
--- a/src/easydiffraction/core/guard.py
+++ b/src/easydiffraction/core/guard.py
@@ -1,30 +1,35 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+from __future__ import annotations
+
 from abc import ABC
 from abc import abstractmethod
+from typing import Generator
 
 from easydiffraction.core.diagnostic import Diagnostics
 from easydiffraction.core.identity import Identity
 
 
 class GuardedBase(ABC):
-    """Base class enforcing controlled attribute access and parent
-    linkage.
-    """
+    """Base class enforcing controlled attribute access and linkage."""
 
     _diagnoser = Diagnostics()
 
-    def __init__(self):
+    def __init__(self) -> None:
+        super().__init__()
         self._identity = Identity(owner=self)
 
     def __str__(self) -> str:
+        """Return the string representation of this object."""
         return f'<{self.unique_name}>'
 
     def __repr__(self) -> str:
+        """Return the developer representation of this object."""
         return self.__str__()
 
-    def __getattr__(self, key: str):
+    def __getattr__(self, key: str) -> None:
+        """Raise a descriptive error for unknown attribute access."""
         cls = type(self)
         allowed = cls._public_attrs()
         if key not in allowed:
@@ -35,7 +40,8 @@ def __getattr__(self, key: str):
                 label='Allowed readable/writable',
             )
 
-    def __setattr__(self, key: str, value):
+    def __setattr__(self, key: str, value: object) -> None:
+        """Set an attribute with access-control diagnostics."""
         # Always allow private or special attributes without diagnostics
         if key.startswith('_'):
             object.__setattr__(self, key, value)
@@ -67,20 +73,21 @@ def __setattr__(self, key: str, value):
 
         self._assign_attr(key, value)
 
-    def _assign_attr(self, key, value):
+    def _assign_attr(self, key: str, value: object) -> None:
         """Low-level assignment with parent linkage."""
         object.__setattr__(self, key, value)
         if key != '_parent' and isinstance(value, GuardedBase):
             object.__setattr__(value, '_parent', self)
 
     @classmethod
-    def _iter_properties(cls):
-        """Iterate over all public properties defined in the class
-        hierarchy.
+    def _iter_properties(cls) -> Generator[tuple[str, property], None, None]:
+        """
+        Iterate over all public properties in the class hierarchy.
 
-        Yields:
-            tuple[str, property]: Each (key, property) pair for public
-            attributes.
+        Yields
+        ------
+        tuple[str, property]
+            Each (key, property) pair for public attributes.
         """
         for base in cls.mro():
             for key, attr in base.__dict__.items():
@@ -89,12 +96,12 @@ def _iter_properties(cls):
                 yield key, attr
 
     @classmethod
-    def _public_attrs(cls):
+    def _public_attrs(cls) -> set[str]:
         """All public properties (read-only + writable)."""
         return {key for key, _ in cls._iter_properties()}
 
     @classmethod
-    def _public_readonly_attrs(cls):
+    def _public_readonly_attrs(cls) -> set[str]:
         """Public properties without a setter."""
         return {key for key, prop in cls._iter_properties() if prop.fset is None}
 
@@ -103,18 +110,19 @@ def _public_writable_attrs(cls) -> set[str]:
         """Public properties with a setter."""
         return {key for key, prop in cls._iter_properties() if prop.fset is not None}
 
-    def _allowed_attrs(self, writable_only=False):
+    def _allowed_attrs(self, writable_only: bool = False) -> set[str]:
         cls = type(self)
         if writable_only:
             return cls._public_writable_attrs()
         return cls._public_attrs()
 
     @property
-    def _log_name(self):
+    def _log_name(self) -> str:
         return self.unique_name or type(self).__name__
 
     @property
-    def unique_name(self):
+    def unique_name(self) -> str:
+        """Fallback unique name: the class name."""
         return type(self).__name__
 
     # @property
@@ -128,16 +136,92 @@ def unique_name(self):
 
     @property
     @abstractmethod
-    def parameters(self):
-        """Return a list of parameter objects (to be implemented by
-        subclasses).
-        """
+    def parameters(self) -> list:
+        """Return a list of parameters (implemented by subclasses)."""
         raise NotImplementedError
 
     @property
     @abstractmethod
     def as_cif(self) -> str:
-        """Return CIF representation of this object (to be implemented
-        by subclasses).
-        """
+        """Return CIF representation (implemented by subclasses)."""
         raise NotImplementedError
+
+    @staticmethod
+    def _first_sentence(docstring: str | None) -> str:
+        """
+        Extract the first paragraph from a docstring.
+
+        Returns text before the first blank line, with continuation
+        lines joined into a single string.
+        """
+        if not docstring:
+            return ''
+        first_para = docstring.strip().split('\n\n')[0]
+        return ' '.join(line.strip() for line in first_para.splitlines())
+
+    @classmethod
+    def _iter_methods(cls) -> Generator[tuple[str, object], None, None]:
+        """
+        Iterate over public methods in the class hierarchy.
+
+        Yields
+        ------
+        tuple[str, object]
+            Each (name, function) pair.
+        """
+        seen: set = set()
+        for base in cls.mro():
+            for key, attr in base.__dict__.items():
+                if key.startswith('_') or key in seen:
+                    continue
+                if isinstance(attr, property):
+                    continue
+                raw = attr
+                if isinstance(raw, (staticmethod, classmethod)):
+                    raw = raw.__func__
+                if callable(raw):
+                    seen.add(key)
+                    yield key, raw
+
+    def help(self) -> None:
+        """Print a summary of public properties and methods."""
+        from easydiffraction.utils.logging import console
+        from easydiffraction.utils.utils import render_table
+
+        cls = type(self)
+        console.paragraph(f"Help for '{cls.__name__}'")
+
+        # Deduplicate (MRO may yield the same name)
+        seen: dict = {}
+        for key, prop in cls._iter_properties():
+            if key not in seen:
+                seen[key] = prop
+
+        prop_rows = []
+        for i, key in enumerate(sorted(seen), 1):
+            prop = seen[key]
+            writable = '✓' if prop.fset else '✗'
+            doc = self._first_sentence(prop.fget.__doc__ if prop.fget else None)
+            prop_rows.append([str(i), key, writable, doc])
+
+        if prop_rows:
+            console.paragraph('Properties')
+            render_table(
+                columns_headers=['#', 'Name', 'Writable', 'Description'],
+                columns_alignment=['right', 'left', 'center', 'left'],
+                columns_data=prop_rows,
+            )
+
+        methods = dict(cls._iter_methods())
+        method_rows = []
+        for i, key in enumerate(sorted(methods), 1):
+            doc = self._first_sentence(getattr(methods[key], '__doc__', None))
+            method_rows.append([str(i), f'{key}()', doc])
+
+        if method_rows:
+            console.paragraph('Methods')
+            render_table(
+                columns_headers=['#', 'Name', 'Description'],
+                columns_alignment=['right', 'left', 'left'],
+                columns_data=method_rows,
+            )
diff --git a/src/easydiffraction/core/identity.py b/src/easydiffraction/core/identity.py
index 5848bf18..d64fce81 100644
--- a/src/easydiffraction/core/identity.py
+++ b/src/easydiffraction/core/identity.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Identity helpers to build CIF-like hierarchical names.
+"""
+Identity helpers to build CIF-like hierarchical names.
 
 Used by containers and items to expose datablock/category/entry names
 without tight coupling.
@@ -19,13 +20,13 @@ def __init__(
         datablock_entry: Callable | None = None,
         category_code: str | None = None,
         category_entry: Callable | None = None,
-    ):
+    ) -> None:
         self._owner = owner
         self._datablock_entry = datablock_entry
         self._category_code = category_code
         self._category_entry = category_entry
 
-    def _resolve_up(self, attr: str, visited=None):
+    def _resolve_up(self, attr: str, visited: set[int] | None = None) -> str | None:
         """Resolve attribute by walking up parent chain safely."""
         if visited is None:
             visited = set()
@@ -47,31 +48,31 @@ def _resolve_up(self, attr: str, visited=None):
         return None
 
     @property
-    def datablock_entry_name(self):
+    def datablock_entry_name(self) -> str | None:
         """Datablock entry name or None if not set."""
         return self._resolve_up('datablock_entry')
 
     @datablock_entry_name.setter
-    def datablock_entry_name(self, func: callable):
+    def datablock_entry_name(self, func: callable) -> None:
         """Set callable returning datablock entry name."""
         self._datablock_entry = func
 
     @property
-    def category_code(self):
+    def category_code(self) -> str | None:
         """Category code like 'atom_site' or 'background'."""
         return self._resolve_up('category_code')
 
     @category_code.setter
-    def category_code(self, value: str):
+    def category_code(self, value: str) -> None:
         """Set category code value."""
         self._category_code = value
 
     @property
-    def category_entry_name(self):
+    def category_entry_name(self) -> str | None:
         """Category entry name or None if not set."""
         return self._resolve_up('category_entry')
 
     @category_entry_name.setter
-    def category_entry_name(self, func: callable):
+    def category_entry_name(self, func: callable) -> None:
         """Set callable returning category entry name."""
         self._category_entry = func
diff --git a/src/easydiffraction/core/metadata.py b/src/easydiffraction/core/metadata.py
new file mode 100644
index 00000000..318d64bb
--- /dev/null
+++ b/src/easydiffraction/core/metadata.py
@@ -0,0 +1,119 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Metadata dataclasses for factory-created classes.
+
+Three frozen dataclasses describe a concrete class:
+
+- ``TypeInfo`` — stable tag and human-readable description. -
+``Compatibility`` — experimental conditions (multiple fields). -
+``CalculatorSupport`` — which calculation engines can handle it.
+"""
+
+from __future__ import annotations
+
+from dataclasses import dataclass
+from typing import FrozenSet
+
+
+@dataclass(frozen=True)
+class TypeInfo:
+    """
+    Stable identity and description for a factory-created class.
+
+    Attributes
+    ----------
+    tag : str
+        Short, stable string identifier used for serialization,
+        user-facing selection, and factory lookup. Must be unique within
+        a factory's registry. Examples: ``'line-segment'``,
+        ``'pseudo-voigt'``, ``'cryspy'``.
+    description : str, default=''
+        One-line human-readable explanation. Used in
+        ``show_supported()`` tables and documentation.
+    """
+
+    tag: str
+    description: str = ''
+
+
+@dataclass(frozen=True)
+class Compatibility:
+    """
+    Experimental conditions under which a class can be used.
+
+    Each field is a frozenset of enum values representing the set of
+    supported values for that axis.  An empty frozenset means
+    "compatible with any value of this axis" (i.e. no restriction).
+    """
+
+    sample_form: FrozenSet = frozenset()
+    scattering_type: FrozenSet = frozenset()
+    beam_mode: FrozenSet = frozenset()
+    radiation_probe: FrozenSet = frozenset()
+
+    def supports(
+        self,
+        sample_form: object = None,
+        scattering_type: object = None,
+        beam_mode: object = None,
+        radiation_probe: object = None,
+    ) -> bool:
+        """
+        Check if this compatibility matches the given conditions.
+
+        Each argument is an optional enum member.  Returns ``True`` if
+        every provided value is in the corresponding frozenset (or the
+        frozenset is empty, meaning *any*).
+
+        Example::
+
+        compat.supports(     scattering_type=ScatteringTypeEnum.BRAGG,
+        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH, )
+        """
+        for axis, value in (
+            ('sample_form', sample_form),
+            ('scattering_type', scattering_type),
+            ('beam_mode', beam_mode),
+            ('radiation_probe', radiation_probe),
+        ):
+            if value is None:
+                continue
+            allowed = getattr(self, axis)
+            if allowed and value not in allowed:
+                return False
+        return True
+
+
+@dataclass(frozen=True)
+class CalculatorSupport:
+    """
+    Which calculation engines can handle this class.
+
+    Attributes
+    ----------
+    calculators : FrozenSet, default=frozenset()
+        Frozenset of ``CalculatorEnum`` values. Empty means "any
+        calculator" (no restriction).
+    """
+
+    calculators: FrozenSet = frozenset()
+
+    def supports(self, calculator: object) -> bool:
+        """
+        Check if a specific calculator can handle this class.
+
+        Parameters
+        ----------
+        calculator : object
+            A ``CalculatorEnum`` value.
+
+        Returns
+        -------
+        bool
+            ``True`` if the calculator is in the set, or if the set is
+            empty (meaning any calculator is accepted).
+        """
+        if not self.calculators:
+            return True
+        return calculator in self.calculators
diff --git a/src/easydiffraction/core/singletons.py b/src/easydiffraction/core/singleton.py
similarity index 71%
rename from src/easydiffraction/core/singletons.py
rename to src/easydiffraction/core/singleton.py
index 2cd553c1..d40e62bc 100644
--- a/src/easydiffraction/core/singletons.py
+++ b/src/easydiffraction/core/singleton.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typing import Any
@@ -12,9 +12,12 @@
 
 T = TypeVar('T', bound='SingletonBase')
 
+# ======================================================================
+
 
 class SingletonBase:
-    """Base class to implement Singleton pattern.
+    """
+    Base class to implement Singleton pattern.
 
     Ensures only one shared instance of a class is ever created. Useful
     for managing shared state across the library.
@@ -24,12 +27,15 @@ class SingletonBase:
 
     @classmethod
     def get(cls: Type[T]) -> T:
-        """Returns the shared instance, creating it if needed."""
+        """Return the shared instance, creating it if needed."""
         if cls._instance is None:
             cls._instance = cls()
         return cls._instance
 
 
+# ======================================================================
+
+
 class UidMapHandler(SingletonBase):
     """Global handler to manage UID-to-Parameter object mapping."""
 
@@ -38,16 +44,17 @@ def __init__(self) -> None:
         self._uid_map: Dict[str, Any] = {}
 
     def get_uid_map(self) -> Dict[str, Any]:
-        """Returns the current UID-to-Parameter map."""
+        """Return the current UID-to-Parameter map."""
         return self._uid_map
 
-    def add_to_uid_map(self, parameter):
-        """Adds a single Parameter or Descriptor object to the UID map.
+    def add_to_uid_map(self, parameter: object) -> None:
+        """
+        Add a single Parameter or Descriptor object to the UID map.
 
         Only Descriptor or Parameter instances are allowed (not
         Components or others).
         """
-        from easydiffraction.core.parameters import GenericDescriptorBase
+        from easydiffraction.core.variable import GenericDescriptorBase
 
         if not isinstance(parameter, GenericDescriptorBase):
             raise TypeError(
@@ -56,8 +63,9 @@ def add_to_uid_map(self, parameter):
             )
         self._uid_map[parameter.uid] = parameter
 
-    def replace_uid(self, old_uid, new_uid):
-        """Replaces an existing UID key in the UID map with a new UID.
+    def replace_uid(self, old_uid: str, new_uid: str) -> None:
+        """
+        Replace an existing UID key in the UID map with a new UID.
 
         Moves the associated parameter from old_uid to new_uid. Raises a
         KeyError if the old_uid doesn't exist.
@@ -71,11 +79,14 @@ def replace_uid(self, old_uid, new_uid):
     # TODO: Implement removing from the UID map
 
 
+# ======================================================================
+
+
 # TODO: Implement changing atrr '.constrained' back to False
 #  when removing constraints
 class ConstraintsHandler(SingletonBase):
-    """Manages user-defined parameter constraints using aliases and
-    expressions.
+    """
+    Manage parameter constraints using aliases and expressions.
 
     Uses the asteval interpreter for safe evaluation of mathematical
     expressions. Constraints are defined as: lhs_alias =
@@ -94,46 +105,43 @@ def __init__(self) -> None:
         # Internally parsed constraints as (lhs_alias, rhs_expr) tuples
         self._parsed_constraints: List[Tuple[str, str]] = []
 
-    def set_aliases(self, aliases):
-        """Sets the alias map (name → parameter wrapper).
+    def set_aliases(self, aliases: object) -> None:
+        """
+        Set the alias map (name → parameter wrapper).
 
         Called when user registers parameter aliases like:
-            alias='biso_La', param=model.atom_sites['La'].b_iso
+        alias='biso_La', param=model.atom_sites['La'].b_iso
         """
         self._alias_to_param = dict(aliases.items())
 
-    def set_constraints(self, constraints):
-        """Sets the constraints and triggers parsing into internal
-        format.
+    def set_constraints(self, constraints: object) -> None:
+        """
+        Set the constraints and triggers parsing into internal format.
 
-        Called when user registers expressions like:
-            lhs_alias='occ_Ba', rhs_expr='1 - occ_La'
+        Called when user registers expressions like: lhs_alias='occ_Ba',
+        rhs_expr='1 - occ_La'
         """
         self._constraints = constraints._items
         self._parse_constraints()
 
     def _parse_constraints(self) -> None:
-        """Converts raw expression input into a normalized internal list
-        of (lhs_alias, rhs_expr) pairs, stripping whitespace and
-        skipping invalid entries.
-        """
+        """Parse raw expressions into (lhs_alias, rhs_expr) pairs."""
         self._parsed_constraints = []
 
         for expr_obj in self._constraints:
-            lhs_alias = expr_obj.lhs_alias.value
-            rhs_expr = expr_obj.rhs_expr.value
+            lhs_alias = expr_obj.lhs_alias
+            rhs_expr = expr_obj.rhs_expr
 
             if lhs_alias and rhs_expr:
                 constraint = (lhs_alias.strip(), rhs_expr.strip())
                 self._parsed_constraints.append(constraint)
 
     def apply(self) -> None:
-        """Evaluates constraints and applies them to dependent
-        parameters.
+        """
+        Evaluate constraints and applies them to dependent parameters.
 
-        For each constraint:
-        - Evaluate RHS using current values of aliases
-        - Locate the dependent parameter by alias → uid → param
+        For each constraint: - Evaluate RHS using current values of
+        aliases - Locate the dependent parameter by alias → uid → param
         - Update its value and mark it as constrained
         """
         if not self._parsed_constraints:
@@ -164,8 +172,7 @@ def apply(self) -> None:
                 param = uid_map[dependent_uid]
 
                 # Update its value and mark it as constrained
-                param._value = rhs_value  # To bypass ranges check
-                param._constrained = True  # To bypass read-only check
+                param._set_value_constrained(rhs_value)
 
             except Exception as error:
                 print(f"Failed to apply constraint '{lhs_alias} = {rhs_expr}': {error}")
diff --git a/src/easydiffraction/core/validation.py b/src/easydiffraction/core/validation.py
index 5e31c485..d3c411af 100644
--- a/src/easydiffraction/core/validation.py
+++ b/src/easydiffraction/core/validation.py
@@ -1,12 +1,12 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Lightweight runtime validation utilities.
+"""
+Lightweight runtime validation utilities.
 
 Provides DataTypes, type/content validators, and AttributeSpec used by
 descriptors and parameters. Only documentation was added here.
 """
 
-import functools
 import re
 from abc import ABC
 from abc import abstractmethod
@@ -14,73 +14,47 @@
 from enum import auto
 
 import numpy as np
-from typeguard import TypeCheckError
-from typeguard import typechecked
 
 from easydiffraction.core.diagnostic import Diagnostics
-from easydiffraction.utils.logging import log
 
-# ==============================================================
+# ======================================================================
 # Shared constants
-# ==============================================================
+# ======================================================================
+
+
+# TODO: MkDocs doesn't unpack types
+class DataTypeHints:
+    """Type hint aliases for numeric, string, and boolean types."""
+
+    Numeric = int | float | np.integer | np.floating
+    String = str
+    Bool = bool
+
+
+# ======================================================================
 
 
 class DataTypes(Enum):
-    NUMERIC = (int, float, np.integer, np.floating, np.number)
+    """Enumeration of supported data types for descriptors."""
+
+    NUMERIC = (int, float, np.integer, np.floating)
     STRING = (str,)
     BOOL = (bool,)
     ANY = (object,)  # fallback for unconstrained
 
-    def __str__(self):
+    def __str__(self) -> str:
+        """Return the lowercase name of the data type."""
         return self.name.lower()
 
     @property
-    def expected_type(self):
+    def expected_type(self) -> tuple:
         """Convenience alias for tuple of allowed Python types."""
         return self.value
 
 
-# ==============================================================
-# Runtime type checking decorator
-# ==============================================================
-
-# Runtime type checking decorator for validating those methods
-# annotated with type hints, which are writable for the user, and
-# which are not covered by custom validators for Parameter attribute
-# types and content, implemented below.
-
-
-def checktype(func=None, *, context=None):
-    """Runtime type check decorator using typeguard.
-
-    When a TypeCheckError occurs, the error is logged and None is
-    returned. If context is provided, it is added to the message.
-    """
-
-    def decorator(f):
-        checked_func = typechecked(f)
-
-        @functools.wraps(f)
-        def wrapper(*args, **kwargs):
-            try:
-                return checked_func(*args, **kwargs)
-            except TypeCheckError as err:
-                msg = str(err)
-                if context:
-                    msg = f'{context}: {msg}'
-                log.error(message=msg, exc_type=TypeError)
-                return None
-
-        return wrapper
-
-    if func is None:
-        return decorator
-    return decorator(func)
-
-
-# ==============================================================
+# ======================================================================
 # Validation stages (enum/constant)
-# ==============================================================
+# ======================================================================
 
 
 class ValidationStage(Enum):
@@ -91,21 +65,29 @@ class ValidationStage(Enum):
     MEMBERSHIP = auto()
     REGEX = auto()
 
-    def __str__(self):
+    def __str__(self) -> str:
+        """Return the lowercase name of the validation stage."""
         return self.name.lower()
 
 
-# ==============================================================
+# ======================================================================
 # Advanced runtime custom validators for Parameter types/content
-# ==============================================================
+# ======================================================================
 
 
 class ValidatorBase(ABC):
     """Abstract base class for all validators."""
 
     @abstractmethod
-    def validated(self, value, name, default=None, current=None):
-        """Return a validated value or fallback.
+    def validated(
+        self,
+        value: object,
+        name: str,
+        default: object = None,
+        current: object = None,
+    ) -> object:
+        """
+        Return a validated value or fallback.
 
         Subclasses must implement this method.
         """
@@ -113,17 +95,20 @@ def validated(self, value, name, default=None, current=None):
 
     def _fallback(
         self,
-        current=None,
-        default=None,
-    ):
+        current: object = None,
+        default: object = None,
+    ) -> object:
         """Return current if set, else default."""
         return current if current is not None else default
 
 
+# ======================================================================
+
+
 class TypeValidator(ValidatorBase):
-    """Ensure a value is of the expected Python type."""
+    """Ensure a value is of the expected data type."""
 
-    def __init__(self, expected_type: DataTypes):
+    def __init__(self, expected_type: DataTypes) -> None:
         if isinstance(expected_type, DataTypes):
             self.expected_type = expected_type
             self.expected_label = str(expected_type)
@@ -132,13 +117,14 @@ def __init__(self, expected_type: DataTypes):
 
     def validated(
         self,
-        value,
-        name,
-        default=None,
-        current=None,
-        allow_none=False,
-    ):
-        """Validate type and return value or fallback.
+        value: object,
+        name: str,
+        default: object = None,
+        current: object = None,
+        allow_none: bool = False,
+    ) -> object:
+        """
+        Validate type and return value or fallback.
 
         If allow_none is True, None bypasses content checks.
         """
@@ -171,24 +157,27 @@ def validated(
         return value
 
 
+# ======================================================================
+
+
 class RangeValidator(ValidatorBase):
     """Ensure a numeric value lies within [ge, le]."""
 
     def __init__(
         self,
         *,
-        ge=-np.inf,
-        le=np.inf,
-    ):
+        ge: float = -np.inf,
+        le: float = np.inf,
+    ) -> None:
         self.ge, self.le = ge, le
 
     def validated(
         self,
-        value,
-        name,
-        default=None,
-        current=None,
-    ):
+        value: object,
+        name: str,
+        default: object = None,
+        current: object = None,
+    ) -> object:
         """Validate range and return value or fallback."""
         if not (self.ge <= value <= self.le):
             Diagnostics.range_mismatch(
@@ -209,23 +198,27 @@ def validated(
         return value
 
 
+# ======================================================================
+
+
 class MembershipValidator(ValidatorBase):
-    """Ensure that a value is among allowed choices.
+    """
+    Ensure that a value is among allowed choices.
 
-    `allowed` may be an iterable or a callable returning a collection.
+    ``allowed`` may be an iterable or a callable returning a collection.
     """
 
-    def __init__(self, allowed):
+    def __init__(self, allowed: object) -> None:
         # Do not convert immediately to list — may be callable
         self.allowed = allowed
 
     def validated(
         self,
-        value,
-        name,
-        default=None,
-        current=None,
-    ):
+        value: object,
+        name: str,
+        default: object = None,
+        current: object = None,
+    ) -> object:
         """Validate membership and return value or fallback."""
         # Dynamically evaluate allowed if callable (e.g. lambda)
         allowed_values = self.allowed() if callable(self.allowed) else self.allowed
@@ -248,19 +241,22 @@ def validated(
         return value
 
 
+# ======================================================================
+
+
 class RegexValidator(ValidatorBase):
     """Ensure that a string matches a given regular expression."""
 
-    def __init__(self, pattern):
+    def __init__(self, pattern: str) -> None:
         self.pattern = re.compile(pattern)
 
     def validated(
         self,
-        value,
-        name,
-        default=None,
-        current=None,
-    ):
+        value: object,
+        name: str,
+        default: object = None,
+        current: object = None,
+    ) -> object:
         """Validate regex and return value or fallback."""
         if not self.pattern.fullmatch(value):
             Diagnostics.regex_mismatch(
@@ -280,9 +276,9 @@ def validated(
         return value
 
 
-# ==============================================================
+# ======================================================================
 # Attribute specification holding metadata and validators
-# ==============================================================
+# ======================================================================
 
 
 class AttributeSpec:
@@ -291,25 +287,24 @@ class AttributeSpec:
     def __init__(
         self,
         *,
-        value=None,
-        type_=None,
-        default=None,
-        content_validator=None,
+        default: object = None,
+        data_type: DataTypes | None = None,
+        validator: ValidatorBase | None = None,
         allow_none: bool = False,
-    ):
-        self.value = value
+    ) -> None:
         self.default = default
         self.allow_none = allow_none
-        self._type_validator = TypeValidator(type_) if type_ else None
-        self._content_validator = content_validator
+        self._data_type_validator = TypeValidator(data_type) if data_type else None
+        self._validator = validator
 
     def validated(
         self,
-        value,
-        name,
-        current=None,
-    ):
-        """Validate through type and content validators.
+        value: object,
+        name: str,
+        current: object = None,
+    ) -> object:
+        """
+        Validate through type and content validators.
 
         Returns validated value, possibly default or current if errors
         occur. None may short-circuit further checks when allowed.
@@ -319,8 +314,8 @@ def validated(
         default = self.default() if callable(self.default) else self.default
 
         # Type validation
-        if self._type_validator:
-            val = self._type_validator.validated(
+        if self._data_type_validator:
+            val = self._data_type_validator.validated(
                 val,
                 name,
                 default=default,
@@ -334,8 +329,8 @@ def validated(
             return None
 
         # Content validation
-        if self._content_validator and val is not None:
-            val = self._content_validator.validated(
+        if self._validator and val is not None:
+            val = self._validator.validated(
                 val,
                 name,
                 default=default,
diff --git a/src/easydiffraction/core/parameters.py b/src/easydiffraction/core/variable.py
similarity index 59%
rename from src/easydiffraction/core/parameters.py
rename to src/easydiffraction/core/variable.py
index 37b982e0..8e06b2a9 100644
--- a/src/easydiffraction/core/parameters.py
+++ b/src/easydiffraction/core/variable.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
@@ -6,13 +6,12 @@
 import secrets
 import string
 from typing import TYPE_CHECKING
-from typing import Any
 
 import numpy as np
 
 from easydiffraction.core.diagnostic import Diagnostics
 from easydiffraction.core.guard import GuardedBase
-from easydiffraction.core.singletons import UidMapHandler
+from easydiffraction.core.singleton import UidMapHandler
 from easydiffraction.core.validation import AttributeSpec
 from easydiffraction.core.validation import DataTypes
 from easydiffraction.core.validation import RangeValidator
@@ -23,24 +22,22 @@
 if TYPE_CHECKING:
     from easydiffraction.io.cif.handler import CifHandler
 
+# ======================================================================
+
 
 class GenericDescriptorBase(GuardedBase):
-    """Base class for all parameter-like descriptors.
+    """
+    Base class for all parameter-like descriptors.
 
     A descriptor encapsulates a typed value with validation,
     human-readable name/description and a globally unique identifier
     that is stable across the session. Concrete subclasses specialize
-    the expected data type and can extend the public API with
-    additional behavior (e.g. units).
-
-    Attributes:
-        name: Local parameter name (e.g. 'a', 'b_iso').
-        description: Optional human-readable description.
-        uid: Stable random identifier for external references.
+    the expected data type and can extend the public API with additional
+    behavior (e.g. units).
     """
 
     _BOOL_SPEC_TEMPLATE = AttributeSpec(
-        type_=DataTypes.BOOL,
+        data_type=DataTypes.BOOL,
         default=False,
     )
 
@@ -50,13 +47,18 @@ def __init__(
         value_spec: AttributeSpec,
         name: str,
         description: str = None,
-    ):
-        """Initialize the descriptor with validation and identity.
-
-        Args:
-            value_spec: Validation specification for the value.
-            name: Local name of the descriptor within its category.
-            description: Optional human-readable description.
+    ) -> None:
+        """
+        Initialize the descriptor with validation and identity.
+
+        Parameters
+        ----------
+        value_spec : AttributeSpec
+            Validation specification for the value.
+        name : str
+            Local name of the descriptor within its category.
+        description : str, default=None
+            Optional human-readable description.
         """
         super().__init__()
 
@@ -64,8 +66,8 @@ def __init__(
 
         if expected_type:
             user_type = (
-                value_spec._type_validator.expected_type
-                if value_spec._type_validator is not None
+                value_spec._data_type_validator.expected_type
+                if value_spec._data_type_validator is not None
                 else None
             )
             if user_type and user_type is not expected_type:
@@ -76,19 +78,27 @@ def __init__(
                 )
             else:
                 # Enforce descriptor's own type if not already defined
-                value_spec._type_validator = TypeValidator(expected_type)
+                value_spec._data_type_validator = TypeValidator(expected_type)
 
         self._value_spec = value_spec
         self._name = name
         self._description = description
 
         # Initial validated states
-        self._value = self._value_spec.validated(
-            value_spec.value,
-            name=self.unique_name,
-        )
+        # self._value = self._value_spec.validated(
+        #    value_spec.value,
+        #    name=self.unique_name,
+        # )
+
+        # Assign default directly.
+        # Skip validation — defaults are trusted.
+        # Callable is needed for dynamic defaults like SpaceGroup
+        # it_coordinate_system_code, and similar cases.
+        default = value_spec.default
+        self._value = default() if callable(default) else default
 
     def __str__(self) -> str:
+        """Return the string representation of this descriptor."""
         return f'<{self.unique_name} = {self.value!r}>'
 
     @property
@@ -97,11 +107,8 @@ def name(self) -> str:
         return self._name
 
     @property
-    def unique_name(self):
-        """Fully qualified name including datablock, category and entry
-        name.
-        """
-        # 7c: Use filter(None, [...])
+    def unique_name(self) -> str:
+        """Fully qualified name: datablock, category and entry."""
         parts = [
             self._identity.datablock_entry_name,
             self._identity.category_code,
@@ -110,10 +117,8 @@ def unique_name(self):
         ]
         return '.'.join(filter(None, parts))
 
-    def _parent_of_type(self, cls):
-        """Walk up the parent chain and return the first parent of type
-        `cls`.
-        """
+    def _parent_of_type(self, cls: type) -> object | None:
+        """Traverse parents and return the first of type cls."""
         obj = getattr(self, '_parent', None)
         visited = set()
         while obj is not None and id(obj) not in visited:
@@ -123,19 +128,19 @@ def _parent_of_type(self, cls):
             obj = getattr(obj, '_parent', None)
         return None
 
-    def _datablock_item(self):
+    def _datablock_item(self) -> object | None:
         """Return the DatablockItem ancestor, if any."""
         from easydiffraction.core.datablock import DatablockItem
 
         return self._parent_of_type(DatablockItem)
 
     @property
-    def value(self):
+    def value(self) -> object:
         """Current validated value."""
         return self._value
 
     @value.setter
-    def value(self, v):
+    def value(self, v: object) -> None:
         """Set a new value after validating against the spec."""
         # Do nothing if the value is unchanged
         if self._value == v:
@@ -154,14 +159,35 @@ def value(self, v):
         if parent_datablock is not None:
             parent_datablock._need_categories_update = True
 
+    def _set_value_from_minimizer(self, v: object) -> None:
+        """
+        Set the value from a minimizer, bypassing validation.
+
+        Writes ``_value`` directly — no type or range checks — but still
+        marks the owning :class:`DatablockItem` dirty so that
+        ``_update_categories()`` knows work is needed.
+
+        This exists because:
+
+        1. Physical-range validators (e.g. intensity ≥ 0) would reject
+        trial values the minimizer needs to explore. 2. Validation
+        overhead is measurable over thousands of    objective-function
+        evaluations.
+        """
+        self._value = v
+        parent_datablock = self._datablock_item()
+        if parent_datablock is not None:
+            parent_datablock._need_categories_update = True
+
     @property
-    def description(self):
+    def description(self) -> str | None:
         """Optional human-readable description."""
         return self._description
 
     @property
-    def parameters(self):
-        """Return a flat list of parameters contained by this object.
+    def parameters(self) -> list[GenericDescriptorBase]:
+        """
+        Return a flat list of parameters contained by this object.
 
         For a single descriptor, it returns a one-element list with
         itself. Composite objects override this to flatten nested
@@ -174,34 +200,45 @@ def as_cif(self) -> str:
         """Serialize this descriptor to a CIF-formatted string."""
         return param_to_cif(self)
 
-    def from_cif(self, block, idx=0):
+    def from_cif(self, block: object, idx: int = 0) -> None:
         """Populate this parameter from a CIF block."""
         param_from_cif(self, block, idx)
 
 
+# ======================================================================
+
+
 class GenericStringDescriptor(GenericDescriptorBase):
+    """Base descriptor that constrains values to strings."""
+
     _value_type = DataTypes.STRING
 
     def __init__(
         self,
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
         super().__init__(**kwargs)
 
 
+# ======================================================================
+
+
 class GenericNumericDescriptor(GenericDescriptorBase):
+    """Base descriptor that constrains values to numbers."""
+
     _value_type = DataTypes.NUMERIC
 
     def __init__(
         self,
         *,
         units: str = '',
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
         super().__init__(**kwargs)
         self._units: str = units
 
     def __str__(self) -> str:
+        """Return the string representation including units."""
         s: str = super().__str__()
         s = s[1:-1]  # strip <>
         if self.units:
@@ -214,8 +251,12 @@ def units(self) -> str:
         return self._units
 
 
+# ======================================================================
+
+
 class GenericParameter(GenericNumericDescriptor):
-    """Numeric descriptor extended with fitting-related attributes.
+    """
+    Numeric descriptor extended with fitting-related attributes.
 
     Adds standard attributes used by minimizers: "free" flag,
     uncertainty, bounds and an optional starting value. Subclasses can
@@ -224,24 +265,24 @@ class GenericParameter(GenericNumericDescriptor):
 
     def __init__(
         self,
-        **kwargs: Any,
-    ):
+        **kwargs: object,
+    ) -> None:
         super().__init__(**kwargs)
 
         # Initial validated states
         self._free_spec = self._BOOL_SPEC_TEMPLATE
         self._free = self._free_spec.default
         self._uncertainty_spec = AttributeSpec(
-            type_=DataTypes.NUMERIC,
-            content_validator=RangeValidator(ge=0),
+            data_type=DataTypes.NUMERIC,
+            validator=RangeValidator(ge=0),
             allow_none=True,
         )
         self._uncertainty = self._uncertainty_spec.default
-        self._fit_min_spec = AttributeSpec(type_=DataTypes.NUMERIC, default=-np.inf)
+        self._fit_min_spec = AttributeSpec(data_type=DataTypes.NUMERIC, default=-np.inf)
         self._fit_min = self._fit_min_spec.default
-        self._fit_max_spec = AttributeSpec(type_=DataTypes.NUMERIC, default=np.inf)
+        self._fit_max_spec = AttributeSpec(data_type=DataTypes.NUMERIC, default=np.inf)
         self._fit_max = self._fit_max_spec.default
-        self._start_value_spec = AttributeSpec(type_=DataTypes.NUMERIC, default=0.0)
+        self._start_value_spec = AttributeSpec(data_type=DataTypes.NUMERIC, default=0.0)
         self._start_value = self._start_value_spec.default
         self._constrained_spec = self._BOOL_SPEC_TEMPLATE
         self._constrained = self._constrained_spec.default
@@ -250,6 +291,7 @@ def __init__(
         UidMapHandler.get().add_to_uid_map(self)
 
     def __str__(self) -> str:
+        """Return string representation with uncertainty and free."""
         s = GenericDescriptorBase.__str__(self)
         s = s[1:-1]  # strip <>
         if self.uncertainty is not None:
@@ -265,136 +307,156 @@ def _generate_uid(length: int = 16) -> str:
         return ''.join(secrets.choice(letters) for _ in range(length))
 
     @property
-    def uid(self):
+    def uid(self) -> str:
         """Stable random identifier for this descriptor."""
         return self._uid
 
     @property
-    def _minimizer_uid(self):
+    def _minimizer_uid(self) -> str:
         """Variant of uid that is safe for minimizer engines."""
         # return self.unique_name.replace('.', '__')
         return self.uid
 
     @property
-    def name(self) -> str:
-        """Local name of the parameter (without category/datablock)."""
-        return self._name
-
-    @property
-    def unique_name(self):
-        """Fully qualified parameter name including its context path."""
-        parts = [
-            self._identity.datablock_entry_name,
-            self._identity.category_code,
-            self._identity.category_entry_name,
-            self.name,
-        ]
-        return '.'.join(filter(None, parts))
-
-    @property
-    def constrained(self):
+    def constrained(self) -> bool:
         """Whether this parameter is part of a constraint expression."""
         return self._constrained
 
+    def _set_value_constrained(self, v: object) -> None:
+        """
+        Set the value from a constraint expression.
+
+        Validates against the spec, marks the parent datablock dirty,
+        and flags the parameter as constrained. Used exclusively by
+        ``ConstraintsHandler.apply()``.
+        """
+        self.value = v
+        self._constrained = True
+
     @property
-    def free(self):
+    def free(self) -> bool:
         """Whether this parameter is currently varied during fitting."""
         return self._free
 
     @free.setter
-    def free(self, v):
+    def free(self, v: bool) -> None:
         """Set the "free" flag after validation."""
         self._free = self._free_spec.validated(
             v, name=f'{self.unique_name}.free', current=self._free
         )
 
     @property
-    def uncertainty(self):
-        """Estimated standard uncertainty of the fitted value, if
-        available.
-        """
+    def uncertainty(self) -> float | None:
+        """Estimated standard uncertainty of the fitted value."""
         return self._uncertainty
 
     @uncertainty.setter
-    def uncertainty(self, v):
+    def uncertainty(self, v: float | None) -> None:
         """Set the uncertainty value (must be non-negative or None)."""
         self._uncertainty = self._uncertainty_spec.validated(
             v, name=f'{self.unique_name}.uncertainty', current=self._uncertainty
         )
 
     @property
-    def fit_min(self):
+    def fit_min(self) -> float:
         """Lower fitting bound."""
         return self._fit_min
 
     @fit_min.setter
-    def fit_min(self, v):
+    def fit_min(self, v: float) -> None:
         """Set the lower bound for the parameter value."""
         self._fit_min = self._fit_min_spec.validated(
             v, name=f'{self.unique_name}.fit_min', current=self._fit_min
         )
 
     @property
-    def fit_max(self):
+    def fit_max(self) -> float:
         """Upper fitting bound."""
         return self._fit_max
 
     @fit_max.setter
-    def fit_max(self, v):
+    def fit_max(self, v: float) -> None:
         """Set the upper bound for the parameter value."""
         self._fit_max = self._fit_max_spec.validated(
             v, name=f'{self.unique_name}.fit_max', current=self._fit_max
         )
 
 
+# ======================================================================
+
+
 class StringDescriptor(GenericStringDescriptor):
+    """String descriptor bound to a CIF handler."""
+
     def __init__(
         self,
         *,
         cif_handler: CifHandler,
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
-        """String descriptor bound to a CIF handler.
-
-        Args:
-            cif_handler: Object that tracks CIF identifiers.
-            **kwargs: Forwarded to GenericStringDescriptor.
+        """
+        Initialize a string descriptor bound to a CIF handler.
+
+        Parameters
+        ----------
+        cif_handler : CifHandler
+            Object that tracks CIF identifiers.
+        **kwargs : object
+            Forwarded to GenericStringDescriptor.
         """
         super().__init__(**kwargs)
         self._cif_handler = cif_handler
         self._cif_handler.attach(self)
 
 
+# ======================================================================
+
+
 class NumericDescriptor(GenericNumericDescriptor):
+    """Numeric descriptor bound to a CIF handler."""
+
     def __init__(
         self,
         *,
         cif_handler: CifHandler,
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
-        """Numeric descriptor bound to a CIF handler.
-
-        Args:
-            cif_handler: Object that tracks CIF identifiers.
-            **kwargs: Forwarded to GenericNumericDescriptor.
+        """
+        Numeric descriptor bound to a CIF handler.
+
+        Parameters
+        ----------
+        cif_handler : CifHandler
+            Object that tracks CIF identifiers.
+        **kwargs : object
+            Forwarded to GenericNumericDescriptor.
         """
         super().__init__(**kwargs)
         self._cif_handler = cif_handler
         self._cif_handler.attach(self)
 
 
+# ======================================================================
+
+
 class Parameter(GenericParameter):
+    """Fittable parameter bound to a CIF handler."""
+
     def __init__(
         self,
         *,
         cif_handler: CifHandler,
-        **kwargs: Any,
+        **kwargs: object,
     ) -> None:
-        """Fittable parameter bound to a CIF handler.
-
-        Args:
-            cif_handler: Object that tracks CIF identifiers.
-            **kwargs: Forwarded to GenericParameter.
+        """
+        Fittable parameter bound to a CIF handler.
+
+        Parameters
+        ----------
+        cif_handler : CifHandler
+            Object that tracks CIF identifiers.
+        **kwargs : object
+            Forwarded to GenericParameter.
         """
         super().__init__(**kwargs)
         self._cif_handler = cif_handler
diff --git a/src/easydiffraction/crystallography/__init__.py b/src/easydiffraction/crystallography/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/crystallography/__init__.py
+++ b/src/easydiffraction/crystallography/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/crystallography/crystallography.py b/src/easydiffraction/crystallography/crystallography.py
index c7ff6203..bc90383f 100644
--- a/src/easydiffraction/crystallography/crystallography.py
+++ b/src/easydiffraction/crystallography/crystallography.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typing import Any
@@ -21,14 +21,19 @@ def apply_cell_symmetry_constraints(
     cell: Dict[str, float],
     name_hm: str,
 ) -> Dict[str, float]:
-    """Apply symmetry constraints to unit cell parameters based on space
-    group.
-
-    Args:
-        cell: Dictionary containing lattice parameters.
-        name_hm: Hermann-Mauguin symbol of the space group.
-
-    Returns:
+    """
+    Apply symmetry constraints to unit cell parameters.
+
+    Parameters
+    ----------
+    cell : Dict[str, float]
+        Dictionary containing lattice parameters.
+    name_hm : str
+        Hermann-Mauguin symbol of the space group.
+
+    Returns
+    -------
+    Dict[str, float]
         The cell dictionary with applied symmetry constraints.
     """
     it_number = get_it_number_by_name_hm_short(name_hm)
@@ -90,16 +95,23 @@ def apply_atom_site_symmetry_constraints(
     coord_code: int,
     wyckoff_letter: str,
 ) -> Dict[str, Any]:
-    """Apply symmetry constraints to atomic coordinates based on site
-    symmetry.
-
-    Args:
-        atom_site: Dictionary containing atom position data.
-        name_hm: Hermann-Mauguin symbol of the space group.
-        coord_code: Coordinate system code.
-        wyckoff_letter: Wyckoff position letter.
-
-    Returns:
+    """
+    Apply symmetry constraints to atom site coordinates.
+
+    Parameters
+    ----------
+    atom_site : Dict[str, Any]
+        Dictionary containing atom position data.
+    name_hm : str
+        Hermann-Mauguin symbol of the space group.
+    coord_code : int
+        Coordinate system code.
+    wyckoff_letter : str
+        Wyckoff position letter.
+
+    Returns
+    -------
+    Dict[str, Any]
         The atom_site dictionary with applied symmetry constraints.
     """
     it_number = get_it_number_by_name_hm_short(name_hm)
diff --git a/src/easydiffraction/crystallography/space_groups.py b/src/easydiffraction/crystallography/space_groups.py
index 114b3467..4047b8c5 100644
--- a/src/easydiffraction/crystallography/space_groups.py
+++ b/src/easydiffraction/crystallography/space_groups.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Space group reference data.
+"""
+Space group reference data.
 
 Loads a gzipped, packaged pickle with crystallographic space-group
 information. The file is part of the distribution; user input is not
@@ -10,11 +11,11 @@
 import gzip
 import pickle  # noqa: S403 - trusted internal pickle file (package data only)
 from pathlib import Path
-from typing import Any
 
 
-def _restricted_pickle_load(file_obj) -> Any:
-    """Load pickle data from an internal gz file (trusted boundary).
+def _restricted_pickle_load(file_obj: object) -> object:
+    """
+    Load pickle data from an internal gz file (trusted boundary).
 
     The archive lives in the package; no user-controlled input enters
     this function. If distribution process changes, revisit.
@@ -23,7 +24,7 @@ def _restricted_pickle_load(file_obj) -> Any:
     return data
 
 
-def _load():
+def _load() -> object:
     """Load space-group data from the packaged archive."""
     path = Path(__file__).with_name('space_groups.pkl.gz')
     with gzip.open(path, 'rb') as f:
diff --git a/src/easydiffraction/datablocks/__init__.py b/src/easydiffraction/datablocks/__init__.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/src/easydiffraction/datablocks/__init__.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/datablocks/experiment/__init__.py b/src/easydiffraction/datablocks/experiment/__init__.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/__init__.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/datablocks/experiment/categories/__init__.py b/src/easydiffraction/datablocks/experiment/categories/__init__.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/__init__.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/datablocks/experiment/categories/background/__init__.py b/src/easydiffraction/datablocks/experiment/categories/background/__init__.py
new file mode 100644
index 00000000..7ffe8f22
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/background/__init__.py
@@ -0,0 +1,9 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.background.chebyshev import (
+    ChebyshevPolynomialBackground,
+)
+from easydiffraction.datablocks.experiment.categories.background.line_segment import (
+    LineSegmentBackground,
+)
diff --git a/src/easydiffraction/experiments/categories/background/base.py b/src/easydiffraction/datablocks/experiment/categories/background/base.py
similarity index 75%
rename from src/easydiffraction/experiments/categories/background/base.py
rename to src/easydiffraction/datablocks/experiment/categories/background/base.py
index 78cc5ef1..913cb764 100644
--- a/src/easydiffraction/experiments/categories/background/base.py
+++ b/src/easydiffraction/datablocks/experiment/categories/background/base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
@@ -9,7 +9,8 @@
 
 
 class BackgroundBase(CategoryCollection):
-    """Abstract base for background subcategories in experiments.
+    """
+    Abstract base for background subcategories in experiments.
 
     Concrete implementations provide parameterized background models and
     compute background intensities on the experiment grid.
diff --git a/src/easydiffraction/experiments/categories/background/chebyshev.py b/src/easydiffraction/datablocks/experiment/categories/background/chebyshev.py
similarity index 52%
rename from src/easydiffraction/experiments/categories/background/chebyshev.py
rename to src/easydiffraction/datablocks/experiment/categories/background/chebyshev.py
index 3532e35e..098c4268 100644
--- a/src/easydiffraction/experiments/categories/background/chebyshev.py
+++ b/src/easydiffraction/datablocks/experiment/categories/background/chebyshev.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Chebyshev polynomial background model.
+"""
+Chebyshev polynomial background model.
 
 Provides a collection of polynomial terms and evaluation helpers.
 """
@@ -14,14 +15,19 @@
 from numpy.polynomial.chebyshev import chebval
 
 from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.parameters import StringDescriptor
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
 from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
 from easydiffraction.core.validation import RangeValidator
 from easydiffraction.core.validation import RegexValidator
-from easydiffraction.experiments.categories.background.base import BackgroundBase
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import Parameter
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.background.base import BackgroundBase
+from easydiffraction.datablocks.experiment.categories.background.factory import BackgroundFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
 from easydiffraction.io.cif.handler import CifHandler
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.logging import log
@@ -29,7 +35,8 @@
 
 
 class PolynomialTerm(CategoryItem):
-    """Chebyshev polynomial term.
+    """
+    Chebyshev polynomial term.
 
     New public attribute names: ``order`` and ``coef`` replacing the
     longer ``chebyshev_order`` / ``chebyshev_coef``. Backward-compatible
@@ -37,99 +44,117 @@ class PolynomialTerm(CategoryItem):
     not break immediately. Tests should migrate to the short names.
     """
 
-    def __init__(
-        self,
-        *,
-        id=None,  # TODO: rename as in the case of data points?
-        order=None,
-        coef=None,
-    ) -> None:
+    def __init__(self) -> None:
         super().__init__()
 
         self._id = StringDescriptor(
             name='id',
-            description='Identifier for this background polynomial term.',
+            description='Identifier for this background polynomial term',
             value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                value=id,
                 default='0',
                 # TODO: the following pattern is valid for dict key
                 #  (keywords are not checked). CIF label is less strict.
                 #  Do we need conversion between CIF and internal label?
-                content_validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_background.id',
-                ]
+                validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
             ),
+            cif_handler=CifHandler(names=['_pd_background.id']),
         )
         self._order = NumericDescriptor(
             name='order',
             description='Order used in a Chebyshev polynomial background term',
             value_spec=AttributeSpec(
-                value=order,
-                type_=DataTypes.NUMERIC,
                 default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_background.Chebyshev_order',
-                ]
+                validator=RangeValidator(),
             ),
+            cif_handler=CifHandler(names=['_pd_background.Chebyshev_order']),
         )
         self._coef = Parameter(
             name='coef',
             description='Coefficient used in a Chebyshev polynomial background term',
             value_spec=AttributeSpec(
-                value=coef,
-                type_=DataTypes.NUMERIC,
                 default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_background.Chebyshev_coef',
-                ]
+                validator=RangeValidator(),
             ),
+            cif_handler=CifHandler(names=['_pd_background.Chebyshev_coef']),
         )
 
         self._identity.category_code = 'background'
         self._identity.category_entry_name = lambda: str(self._id.value)
 
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
     @property
-    def id(self):
+    def id(self) -> StringDescriptor:
+        """
+        Identifier for this background polynomial term.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._id
 
     @id.setter
-    def id(self, value):
+    def id(self, value: str) -> None:
         self._id.value = value
 
     @property
-    def order(self):
+    def order(self) -> NumericDescriptor:
+        """
+        Order used in a Chebyshev polynomial background term.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._order
 
     @order.setter
-    def order(self, value):
+    def order(self, value: float) -> None:
         self._order.value = value
 
     @property
-    def coef(self):
+    def coef(self) -> Parameter:
+        """
+        Coefficient used in a Chebyshev polynomial background term.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
         return self._coef
 
     @coef.setter
-    def coef(self, value):
+    def coef(self, value: float) -> None:
         self._coef.value = value
 
 
+@BackgroundFactory.register
 class ChebyshevPolynomialBackground(BackgroundBase):
-    _description: str = 'Chebyshev polynomial background'
-
-    def __init__(self):
+    """Chebyshev polynomial background model."""
+
+    type_info = TypeInfo(
+        tag='chebyshev',
+        description='Chebyshev polynomial background',
+    )
+    compatibility = Compatibility(
+        beam_mode=frozenset({
+            BeamModeEnum.CONSTANT_WAVELENGTH,
+            BeamModeEnum.TIME_OF_FLIGHT,
+        }),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({
+            CalculatorEnum.CRYSPY,
+            CalculatorEnum.CRYSFML,
+        }),
+    )
+
+    def __init__(self) -> None:
         super().__init__(item_type=PolynomialTerm)
 
-    def _update(self, called_by_minimizer=False):
+    def _update(self, called_by_minimizer: bool = False) -> None:
         """Evaluate polynomial background over x data."""
         del called_by_minimizer
 
@@ -138,14 +163,14 @@ def _update(self, called_by_minimizer=False):
 
         if not self._items:
             log.warning('No background points found. Setting background to zero.')
-            data._set_bkg(np.zeros_like(x))
+            data._set_intensity_bkg(np.zeros_like(x))
             return
 
         u = (x - x.min()) / (x.max() - x.min()) * 2 - 1
         coefs = [term.coef.value for term in self._items]
 
         y = chebval(u, coefs)
-        data._set_bkg(y)
+        data._set_intensity_bkg(y)
 
     def show(self) -> None:
         """Print a table of polynomial orders and coefficients."""
diff --git a/src/easydiffraction/experiments/categories/background/enums.py b/src/easydiffraction/datablocks/experiment/categories/background/enums.py
similarity index 84%
rename from src/easydiffraction/experiments/categories/background/enums.py
rename to src/easydiffraction/datablocks/experiment/categories/background/enums.py
index d7edf42e..9e78effc 100644
--- a/src/easydiffraction/experiments/categories/background/enums.py
+++ b/src/easydiffraction/datablocks/experiment/categories/background/enums.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Enumerations for background model types."""
 
@@ -12,7 +12,7 @@ class BackgroundTypeEnum(str, Enum):
     """Supported background model types."""
 
     LINE_SEGMENT = 'line-segment'
-    CHEBYSHEV = 'chebyshev polynomial'
+    CHEBYSHEV = 'chebyshev'
 
     @classmethod
     def default(cls) -> 'BackgroundTypeEnum':
diff --git a/src/easydiffraction/datablocks/experiment/categories/background/factory.py b/src/easydiffraction/datablocks/experiment/categories/background/factory.py
new file mode 100644
index 00000000..c4d300c8
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/background/factory.py
@@ -0,0 +1,14 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Background factory — delegates entirely to ``FactoryBase``."""
+
+from easydiffraction.core.factory import FactoryBase
+from easydiffraction.datablocks.experiment.categories.background.enums import BackgroundTypeEnum
+
+
+class BackgroundFactory(FactoryBase):
+    """Create background collections by tag."""
+
+    _default_rules = {
+        frozenset(): BackgroundTypeEnum.LINE_SEGMENT,
+    }
diff --git a/src/easydiffraction/experiments/categories/background/line_segment.py b/src/easydiffraction/datablocks/experiment/categories/background/line_segment.py
similarity index 54%
rename from src/easydiffraction/experiments/categories/background/line_segment.py
rename to src/easydiffraction/datablocks/experiment/categories/background/line_segment.py
index bf202ce3..2f0a5496 100644
--- a/src/easydiffraction/experiments/categories/background/line_segment.py
+++ b/src/easydiffraction/datablocks/experiment/categories/background/line_segment.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Line-segment background model.
+"""
+Line-segment background model.
 
 Interpolate user-specified points to form a background curve.
 """
@@ -13,14 +14,19 @@
 from scipy.interpolate import interp1d
 
 from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.parameters import StringDescriptor
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
 from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
 from easydiffraction.core.validation import RangeValidator
 from easydiffraction.core.validation import RegexValidator
-from easydiffraction.experiments.categories.background.base import BackgroundBase
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import Parameter
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.background.base import BackgroundBase
+from easydiffraction.datablocks.experiment.categories.background.factory import BackgroundFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
 from easydiffraction.io.cif.handler import CifHandler
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.logging import log
@@ -30,44 +36,27 @@
 class LineSegment(CategoryItem):
     """Single background control point for interpolation."""
 
-    def __init__(
-        self,
-        *,
-        id=None,  # TODO: rename as in the case of data points?
-        x=None,
-        y=None,
-    ) -> None:
+    def __init__(self) -> None:
         super().__init__()
 
         self._id = StringDescriptor(
             name='id',
-            description='Identifier for this background line segment.',
+            description='Identifier for this background line segment',
             value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                value=id,
                 default='0',
                 # TODO: the following pattern is valid for dict key
                 #  (keywords are not checked). CIF label is less strict.
                 #  Do we need conversion between CIF and internal label?
-                content_validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_background.id',
-                ]
+                validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
             ),
+            cif_handler=CifHandler(names=['_pd_background.id']),
         )
         self._x = NumericDescriptor(
             name='x',
-            description=(
-                'X-coordinates used to create many straight-line segments '
-                'representing the background in a calculated diffractogram.'
-            ),
+            description='X-coordinates used to create many straight-line segments',
             value_spec=AttributeSpec(
-                value=x,
-                type_=DataTypes.NUMERIC,
                 default=0.0,
-                content_validator=RangeValidator(),
+                validator=RangeValidator(),
             ),
             cif_handler=CifHandler(
                 names=[
@@ -78,15 +67,10 @@ def __init__(
         )
         self._y = Parameter(
             name='y',  # TODO: rename to intensity
-            description=(
-                'Intensity used to create many straight-line segments '
-                'representing the background in a calculated diffractogram'
-            ),
+            description='Intensity used to create many straight-line segments',
             value_spec=AttributeSpec(
-                value=y,
-                type_=DataTypes.NUMERIC,
                 default=0.0,
-                content_validator=RangeValidator(),
+                validator=RangeValidator(),
             ),  # TODO: rename to intensity
             cif_handler=CifHandler(
                 names=[
@@ -99,38 +83,74 @@ def __init__(
         self._identity.category_code = 'background'
         self._identity.category_entry_name = lambda: str(self._id.value)
 
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
     @property
-    def id(self):
+    def id(self) -> StringDescriptor:
+        """
+        Identifier for this background line segment.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._id
 
     @id.setter
-    def id(self, value):
+    def id(self, value: str) -> None:
         self._id.value = value
 
     @property
-    def x(self):
+    def x(self) -> NumericDescriptor:
+        """
+        X-coordinates used to create many straight-line segments.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._x
 
     @x.setter
-    def x(self, value):
+    def x(self, value: float) -> None:
         self._x.value = value
 
     @property
-    def y(self):
+    def y(self) -> Parameter:
+        """
+        Intensity used to create many straight-line segments.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
         return self._y
 
     @y.setter
-    def y(self, value):
+    def y(self, value: float) -> None:
         self._y.value = value
 
 
+@BackgroundFactory.register
 class LineSegmentBackground(BackgroundBase):
-    _description: str = 'Linear interpolation between points'
-
-    def __init__(self):
+    """Linear-interpolation background between user-defined points."""
+
+    type_info = TypeInfo(
+        tag='line-segment',
+        description='Linear interpolation between points',
+    )
+    compatibility = Compatibility(
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
         super().__init__(item_type=LineSegment)
 
-    def _update(self, called_by_minimizer=False):
+    def _update(self, called_by_minimizer: bool = False) -> None:
         """Interpolate background points over x data."""
         del called_by_minimizer
 
@@ -139,7 +159,7 @@ def _update(self, called_by_minimizer=False):
 
         if not self._items:
             log.debug('No background points found. Setting background to zero.')
-            data._set_bkg(np.zeros_like(x))
+            data._set_intensity_bkg(np.zeros_like(x))
             return
 
         segments_x = np.array([point.x.value for point in self._items])
@@ -153,7 +173,7 @@ def _update(self, called_by_minimizer=False):
         )
 
         y = interp_func(x)
-        data._set_bkg(y)
+        data._set_intensity_bkg(y)
 
     def show(self) -> None:
         """Print a table of control points (x, intensity)."""
diff --git a/src/easydiffraction/datablocks/experiment/categories/data/__init__.py b/src/easydiffraction/datablocks/experiment/categories/data/__init__.py
new file mode 100644
index 00000000..3599f3b5
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/data/__init__.py
@@ -0,0 +1,7 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdCwlData
+from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdTofData
+from easydiffraction.datablocks.experiment.categories.data.bragg_sc import ReflnData
+from easydiffraction.datablocks.experiment.categories.data.total_pd import TotalData
diff --git a/src/easydiffraction/datablocks/experiment/categories/data/bragg_pd.py b/src/easydiffraction/datablocks/experiment/categories/data/bragg_pd.py
new file mode 100644
index 00000000..883f7f80
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/data/bragg_pd.py
@@ -0,0 +1,625 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from __future__ import annotations
+
+import numpy as np
+
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import MembershipValidator
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.handler import CifHandler
+from easydiffraction.utils.utils import tof_to_d
+from easydiffraction.utils.utils import twotheta_to_d
+
+
+class PdDataPointBaseMixin:
+    """Single base data point mixin for powder diffraction data."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._point_id = StringDescriptor(
+            name='point_id',
+            description='Identifier for this data point in the dataset',
+            value_spec=AttributeSpec(
+                default='0',
+                # TODO: the following pattern is valid for dict key
+                #  (keywords are not checked). CIF label is less strict.
+                #  Do we need conversion between CIF and internal label?
+                validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_data.point_id',
+                ]
+            ),
+        )
+        self._d_spacing = NumericDescriptor(
+            name='d_spacing',
+            description='d-spacing value corresponding to this data point',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_pd_proc.d_spacing']),
+        )
+        self._intensity_meas = NumericDescriptor(
+            name='intensity_meas',
+            description='Intensity recorded at each measurement point (angle/time)',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_meas.intensity_total',
+                    '_pd_proc.intensity_norm',
+                ]
+            ),
+        )
+        self._intensity_meas_su = NumericDescriptor(
+            name='intensity_meas_su',
+            description='Standard uncertainty of the measured intensity at this point',
+            value_spec=AttributeSpec(
+                default=1.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_meas.intensity_total_su',
+                    '_pd_proc.intensity_norm_su',
+                ]
+            ),
+        )
+        self._intensity_calc = NumericDescriptor(
+            name='intensity_calc',
+            description='Intensity of a computed diffractogram at this point',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_pd_calc.intensity_total']),
+        )
+        self._intensity_bkg = NumericDescriptor(
+            name='intensity_bkg',
+            description='Intensity of a computed background at this point',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_pd_calc.intensity_bkg']),
+        )
+        self._calc_status = StringDescriptor(
+            name='calc_status',
+            description='Status code of the data point in the calculation process',
+            value_spec=AttributeSpec(
+                default='incl',  # TODO: Make Enum
+                validator=MembershipValidator(allowed=['incl', 'excl']),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_data.refinement_status',  # TODO: rename to calc_status
+                ]
+            ),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def point_id(self) -> StringDescriptor:
+        """
+        Identifier for this data point in the dataset.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._point_id
+
+    @property
+    def d_spacing(self) -> NumericDescriptor:
+        """
+        d-spacing value corresponding to this data point.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._d_spacing
+
+    @property
+    def intensity_meas(self) -> NumericDescriptor:
+        """
+        Intensity recorded at each measurement point (angle/time).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_meas
+
+    @property
+    def intensity_meas_su(self) -> NumericDescriptor:
+        """
+        Standard uncertainty of the measured intensity at this point.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_meas_su
+
+    @property
+    def intensity_calc(self) -> NumericDescriptor:
+        """
+        Intensity of a computed diffractogram at this point.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_calc
+
+    @property
+    def intensity_bkg(self) -> NumericDescriptor:
+        """
+        Intensity of a computed background at this point.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_bkg
+
+    @property
+    def calc_status(self) -> StringDescriptor:
+        """
+        Status code of the data point in the calculation process.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._calc_status
+
+
+class PdCwlDataPointMixin:
+    """Mixin for CWL powder diffraction data points."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._two_theta = NumericDescriptor(
+            name='two_theta',
+            description='Measured 2θ diffraction angle.',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0, le=180),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_proc.2theta_scan',
+                    '_pd_meas.2theta_scan',
+                ]
+            ),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def two_theta(self) -> NumericDescriptor:
+        """
+        Measured 2θ diffraction angle (deg).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._two_theta
+
+
+class PdTofDataPointMixin:
+    """Mixin for powder diffraction data points with time-of-flight."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._time_of_flight = NumericDescriptor(
+            name='time_of_flight',
+            description='Measured time for time-of-flight neutron measurement.',
+            units='µs',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_pd_meas.time_of_flight']),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def time_of_flight(self) -> NumericDescriptor:
+        """
+        Measured time for time-of-flight neutron measurement (µs).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._time_of_flight
+
+
+class PdCwlDataPoint(
+    PdDataPointBaseMixin,  # TODO: rename to BasePdDataPointMixin???
+    PdCwlDataPointMixin,  # TODO: rename to CwlPdDataPointMixin???
+    CategoryItem,  # Must be last to ensure mixins initialized first
+    # TODO: Check this. AI suggest class
+    #  CwlThompsonCoxHastings(
+    #     PeakBase, # From CategoryItem
+    #     CwlBroadeningMixin,
+    #     FcjAsymmetryMixin,
+    #  ):
+    #  But also says, that in fact, it is just for consistency. And both
+    #  orders work.
+):
+    """Powder diffraction data point for CWL experiments."""
+
+    def __init__(self) -> None:
+        super().__init__()
+        self._identity.category_code = 'pd_data'
+        self._identity.category_entry_name = lambda: str(self.point_id.value)
+
+
+class PdTofDataPoint(
+    PdDataPointBaseMixin,
+    PdTofDataPointMixin,
+    CategoryItem,  # Must be last to ensure mixins initialized first
+):
+    """Powder diffraction data point for time-of-flight experiments."""
+
+    def __init__(self) -> None:
+        super().__init__()
+        self._identity.category_code = 'pd_data'
+        self._identity.category_entry_name = lambda: str(self.point_id.value)
+
+
+class PdDataBase(CategoryCollection):
+    """Base class for powder diffraction data collections."""
+
+    # TODO: ???
+
+    # Redefine update priority to ensure data updated after other
+    # categories. Higher number = runs later. Default for other
+    # categories, e.g., background and excluded regions are 10 by
+    # default
+    _update_priority = 100
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _set_point_id(self, values: object) -> None:
+        """Set point IDs."""
+        for p, v in zip(self._items, values, strict=True):
+            p.point_id._value = v
+
+    def _set_intensity_meas(self, values: object) -> None:
+        """Set measured intensity."""
+        for p, v in zip(self._items, values, strict=True):
+            p.intensity_meas._value = v
+
+    def _set_intensity_meas_su(self, values: object) -> None:
+        """Set standard uncertainty of measured intensity values."""
+        for p, v in zip(self._items, values, strict=True):
+            p.intensity_meas_su._value = v
+
+    # Can be set multiple times
+
+    def _set_d_spacing(self, values: object) -> None:
+        """Set d-spacing values."""
+        for p, v in zip(self._calc_items, values, strict=True):
+            p.d_spacing._value = v
+
+    def _set_intensity_calc(self, values: object) -> None:
+        """Set calculated intensity."""
+        for p, v in zip(self._calc_items, values, strict=True):
+            p.intensity_calc._value = v
+
+    def _set_intensity_bkg(self, values: object) -> None:
+        """Set background intensity."""
+        for p, v in zip(self._calc_items, values, strict=True):
+            p.intensity_bkg._value = v
+
+    def _set_calc_status(self, values: object) -> None:
+        """Set refinement status."""
+        for p, v in zip(self._items, values, strict=True):
+            if v:
+                p.calc_status._value = 'incl'
+            elif not v:
+                p.calc_status._value = 'excl'
+            else:
+                raise ValueError(
+                    f'Invalid refinement status value: {v}. Expected boolean True/False.'
+                )
+
+    @property
+    def _calc_mask(self) -> np.ndarray:
+        return self.calc_status == 'incl'
+
+    @property
+    def _calc_items(self) -> list:
+        """Get only the items included in calculations."""
+        return [item for item, mask in zip(self._items, self._calc_mask, strict=False) if mask]
+
+    # Misc
+
+    def _update(self, called_by_minimizer: bool = False) -> None:
+        experiment = self._parent
+        experiments = experiment._parent
+        project = experiments._parent
+        structures = project.structures
+        calculator = experiment.calculator
+
+        initial_calc = np.zeros_like(self.x)
+        calc = initial_calc
+
+        # TODO: refactor _get_valid_linked_phases to only be responsible
+        #  for returning list. Warning message should be defined here,
+        #  at least some of them.
+        # TODO: Adapt following the _update method in bragg_sc.py
+        for linked_phase in experiment._get_valid_linked_phases(structures):
+            structure_id = linked_phase._identity.category_entry_name
+            structure_scale = linked_phase.scale.value
+            structure = structures[structure_id]
+
+            structure_calc = calculator.calculate_pattern(
+                structure,
+                experiment,
+                called_by_minimizer=called_by_minimizer,
+            )
+
+            structure_scaled_calc = structure_scale * structure_calc
+            calc += structure_scaled_calc
+
+        self._set_intensity_calc(calc + self.intensity_bkg)
+
+    ###################
+    # Public properties
+    ###################
+
+    @property
+    def calc_status(self) -> np.ndarray:
+        """Refinement-status flags for each data point as an array."""
+        return np.fromiter(
+            (p.calc_status.value for p in self._items),
+            dtype=object,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def d_spacing(self) -> np.ndarray:
+        """D-spacing values for active (non-excluded) data points."""
+        return np.fromiter(
+            (p.d_spacing.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_meas(self) -> np.ndarray:
+        """Measured intensities for active data points."""
+        return np.fromiter(
+            (p.intensity_meas.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_meas_su(self) -> np.ndarray:
+        """
+        Standard uncertainties of the measured intensities.
+
+        Values smaller than 0.0001 are replaced with 1.0 to prevent
+        fitting failures.
+        """
+        # TODO: The following is a temporary workaround to handle zero
+        #  or near-zero uncertainties in the data, when dats is loaded
+        #  from CIF files. This is necessary because zero uncertainties
+        #  cause fitting algorithms to fail.
+        #  The current implementation is inefficient.
+        #  In the future, we should extend the functionality of
+        #  the NumericDescriptor to automatically replace the value
+        #  outside of the valid range (`validator`) with a
+        #  default value (`default`), when the value is set.
+        #  BraggPdExperiment._load_ascii_data_to_experiment() handles
+        #  this for ASCII data, but we also need to handle CIF data and
+        #  come up with a consistent approach for both data sources.
+        original = np.fromiter(
+            (p.intensity_meas_su.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+        # Replace values smaller than 0.0001 with 1.0
+        modified = np.where(original < 0.0001, 1.0, original)
+        return modified
+
+    @property
+    def intensity_calc(self) -> np.ndarray:
+        """Calculated intensities for active data points."""
+        return np.fromiter(
+            (p.intensity_calc.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_bkg(self) -> np.ndarray:
+        """Background intensities for active data points."""
+        return np.fromiter(
+            (p.intensity_bkg.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+
+@DataFactory.register
+class PdCwlData(PdDataBase):
+    """Bragg powder CWL data collection."""
+
+    # TODO: ???
+    # _description: str = 'Powder diffraction data points for
+    # constant-wavelength experiments.'
+    type_info = TypeInfo(tag='bragg-pd', description='Bragg powder CWL data')
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__(item_type=PdCwlDataPoint)
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_xcoord_and_id(self, values: object) -> None:
+        """Set 2θ values."""
+        # TODO: split into multiple methods
+
+        # Create items
+        self._items = [self._item_type() for _ in range(values.size)]
+
+        # Set two-theta values
+        for p, v in zip(self._items, values, strict=True):
+            p.two_theta._value = v
+
+        # Set point IDs
+        self._set_point_id([str(i + 1) for i in range(values.size)])
+
+    # Misc
+
+    def _update(self, called_by_minimizer: bool = False) -> None:
+        super()._update(called_by_minimizer)
+
+        experiment = self._parent
+        d_spacing = twotheta_to_d(
+            self.x,
+            experiment.instrument.setup_wavelength.value,
+        )
+        self._set_d_spacing(d_spacing)
+
+    ###################
+    # Public properties
+    ###################
+
+    @property
+    def two_theta(self) -> np.ndarray:
+        """Get 2θ values for data points included in calculations."""
+        return np.fromiter(
+            (p.two_theta.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def x(self) -> np.ndarray:
+        """Alias for two_theta."""
+        return self.two_theta
+
+    @property
+    def unfiltered_x(self) -> np.ndarray:
+        """Get the 2θ values for all data points in this collection."""
+        return np.fromiter(
+            (p.two_theta.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+
+@DataFactory.register
+class PdTofData(PdDataBase):
+    """Bragg powder TOF data collection."""
+
+    type_info = TypeInfo(tag='bragg-pd-tof', description='Bragg powder TOF data')
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__(item_type=PdTofDataPoint)
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_xcoord_and_id(self, values: object) -> None:
+        """Set time-of-flight values."""
+        # TODO: split into multiple methods
+
+        # Create items
+        self._items = [self._item_type() for _ in range(values.size)]
+
+        # Set time-of-flight values
+        for p, v in zip(self._items, values, strict=True):
+            p.time_of_flight._value = v
+
+        # Set point IDs
+        self._set_point_id([str(i + 1) for i in range(values.size)])
+
+    # Misc
+
+    def _update(self, called_by_minimizer: bool = False) -> None:
+        super()._update(called_by_minimizer)
+
+        experiment = self._parent
+        d_spacing = tof_to_d(
+            self.x,
+            experiment.instrument.calib_d_to_tof_offset.value,
+            experiment.instrument.calib_d_to_tof_linear.value,
+            experiment.instrument.calib_d_to_tof_quad.value,
+        )
+        self._set_d_spacing(d_spacing)
+
+    ###################
+    # Public properties
+    ###################
+
+    @property
+    def time_of_flight(self) -> np.ndarray:
+        """Get TOF values for data points included in calculations."""
+        return np.fromiter(
+            (p.time_of_flight.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def x(self) -> np.ndarray:
+        """Alias for time_of_flight."""
+        return self.time_of_flight
+
+    @property
+    def unfiltered_x(self) -> np.ndarray:
+        """Get the TOF values for all data points in this collection."""
+        return np.fromiter(
+            (p.time_of_flight.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
diff --git a/src/easydiffraction/datablocks/experiment/categories/data/bragg_sc.py b/src/easydiffraction/datablocks/experiment/categories/data/bragg_sc.py
new file mode 100644
index 00000000..d19eb75f
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/data/bragg_sc.py
@@ -0,0 +1,434 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from __future__ import annotations
+
+import numpy as np
+
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.handler import CifHandler
+from easydiffraction.utils.logging import log
+from easydiffraction.utils.utils import sin_theta_over_lambda_to_d_spacing
+
+
+class Refln(CategoryItem):
+    """Single reflection for single-crystal diffraction data."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._id = StringDescriptor(
+            name='id',
+            description='Identifier of the reflection',
+            value_spec=AttributeSpec(
+                default='0',
+                # TODO: the following pattern is valid for dict key
+                #  (keywords are not checked). CIF label is less strict.
+                #  Do we need conversion between CIF and internal label?
+                validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_refln.id']),
+        )
+        self._d_spacing = NumericDescriptor(
+            name='d_spacing',
+            description='Distance between lattice planes for this reflection',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_refln.d_spacing']),
+        )
+        self._sin_theta_over_lambda = NumericDescriptor(
+            name='sin_theta_over_lambda',
+            description='The sin(θ)/λ value for this reflection',
+            units='Å⁻¹',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_refln.sin_theta_over_lambda']),
+        )
+        self._index_h = NumericDescriptor(
+            name='index_h',
+            description='Miller index h of a measured reflection',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_refln.index_h']),
+        )
+        self._index_k = NumericDescriptor(
+            name='index_k',
+            description='Miller index k of a measured reflection',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_refln.index_k']),
+        )
+        self._index_l = NumericDescriptor(
+            name='index_l',
+            description='Miller index l of a measured reflection',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_refln.index_l']),
+        )
+        self._intensity_meas = NumericDescriptor(
+            name='intensity_meas',
+            description=' The intensity of the reflection derived from the measurements.',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_refln.intensity_meas']),
+        )
+        self._intensity_meas_su = NumericDescriptor(
+            name='intensity_meas_su',
+            description='Standard uncertainty of the measured intensity.',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_refln.intensity_meas_su']),
+        )
+        self._intensity_calc = NumericDescriptor(
+            name='intensity_calc',
+            description='Intensity of the reflection calculated from atom site data',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_refln.intensity_calc']),
+        )
+        self._wavelength = NumericDescriptor(
+            name='wavelength',
+            description='Mean wavelength of radiation for this reflection',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(names=['_refln.wavelength']),
+        )
+
+        self._identity.category_code = 'refln'
+        self._identity.category_entry_name = lambda: str(self.id.value)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def id(self) -> StringDescriptor:
+        """
+        Identifier of the reflection.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._id
+
+    @property
+    def d_spacing(self) -> NumericDescriptor:
+        """
+        Distance between lattice planes for this reflection (Å).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._d_spacing
+
+    @property
+    def sin_theta_over_lambda(self) -> NumericDescriptor:
+        """
+        The sin(θ)/λ value for this reflection (Å⁻¹).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._sin_theta_over_lambda
+
+    @property
+    def index_h(self) -> NumericDescriptor:
+        """
+        Miller index h of a measured reflection.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._index_h
+
+    @property
+    def index_k(self) -> NumericDescriptor:
+        """
+        Miller index k of a measured reflection.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._index_k
+
+    @property
+    def index_l(self) -> NumericDescriptor:
+        """
+        Miller index l of a measured reflection.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._index_l
+
+    @property
+    def intensity_meas(self) -> NumericDescriptor:
+        """
+        The intensity of the reflection derived from the measurements.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_meas
+
+    @property
+    def intensity_meas_su(self) -> NumericDescriptor:
+        """
+        Standard uncertainty of the measured intensity.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_meas_su
+
+    @property
+    def intensity_calc(self) -> NumericDescriptor:
+        """
+        Intensity of the reflection calculated from atom site data.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._intensity_calc
+
+    @property
+    def wavelength(self) -> NumericDescriptor:
+        """
+        Mean wavelength of radiation for this reflection (Å).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._wavelength
+
+
+@DataFactory.register
+class ReflnData(CategoryCollection):
+    """Collection of reflections for single crystal diffraction data."""
+
+    type_info = TypeInfo(tag='bragg-sc', description='Bragg single-crystal reflection data')
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY}),
+    )
+
+    _update_priority = 100
+
+    def __init__(self) -> None:
+        super().__init__(item_type=Refln)
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_hkl_and_id(
+        self,
+        indices_h: object,
+        indices_k: object,
+        indices_l: object,
+    ) -> None:
+        """Set Miller indices."""
+        # TODO: split into multiple methods
+
+        # Create items
+        self._items = [self._item_type() for _ in range(indices_h.size)]
+
+        # Set indices
+        for item, index_h, index_k, index_l in zip(
+            self._items, indices_h, indices_k, indices_l, strict=True
+        ):
+            item.index_h._value = index_h
+            item.index_k._value = index_k
+            item.index_l._value = index_l
+
+        # Set reflection IDs
+        self._set_id([str(i + 1) for i in range(indices_h.size)])
+
+    def _set_id(self, values: object) -> None:
+        """Set reflection IDs."""
+        for p, v in zip(self._items, values, strict=True):
+            p.id._value = v
+
+    def _set_intensity_meas(self, values: object) -> None:
+        """Set measured intensity."""
+        for p, v in zip(self._items, values, strict=True):
+            p.intensity_meas._value = v
+
+    def _set_intensity_meas_su(self, values: object) -> None:
+        """Set standard uncertainty of measured intensity values."""
+        for p, v in zip(self._items, values, strict=True):
+            p.intensity_meas_su._value = v
+
+    def _set_wavelength(self, values: object) -> None:
+        """Set wavelength."""
+        for p, v in zip(self._items, values, strict=True):
+            p.wavelength._value = v
+
+    # Can be set multiple times
+
+    def _set_d_spacing(self, values: object) -> None:
+        """Set d-spacing values."""
+        for p, v in zip(self._items, values, strict=True):
+            p.d_spacing._value = v
+
+    def _set_sin_theta_over_lambda(self, values: object) -> None:
+        """Set sin(theta)/lambda values."""
+        for p, v in zip(self._items, values, strict=True):
+            p.sin_theta_over_lambda._value = v
+
+    def _set_intensity_calc(self, values: object) -> None:
+        """Set calculated intensity."""
+        for p, v in zip(self._items, values, strict=True):
+            p.intensity_calc._value = v
+
+    # Misc
+
+    def _update(self, called_by_minimizer: bool = False) -> None:
+        experiment = self._parent
+        experiments = experiment._parent
+        project = experiments._parent
+        structures = project.structures
+        calculator = experiment.calculator
+
+        linked_crystal = experiment.linked_crystal
+        linked_crystal_id = experiment.linked_crystal.id.value
+
+        if linked_crystal_id not in structures.names:
+            log.error(
+                f"Linked crystal ID '{linked_crystal_id}' not found in "
+                f'structure IDs {structures.names}.'
+            )
+            return
+
+        structure_id = linked_crystal_id
+        structure_scale = linked_crystal.scale.value
+        structure = structures[structure_id]
+
+        stol, raw_calc = calculator.calculate_structure_factors(
+            structure,
+            experiment,
+            called_by_minimizer=called_by_minimizer,
+        )
+
+        d_spacing = sin_theta_over_lambda_to_d_spacing(stol)
+        calc = structure_scale * raw_calc
+
+        self._set_d_spacing(d_spacing)
+        self._set_sin_theta_over_lambda(stol)
+        self._set_intensity_calc(calc)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def d_spacing(self) -> np.ndarray:
+        """D-spacing values for all reflection data points."""
+        return np.fromiter(
+            (p.d_spacing.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def sin_theta_over_lambda(self) -> np.ndarray:
+        """sinθ/λ values for all reflection data points."""
+        return np.fromiter(
+            (p.sin_theta_over_lambda.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def index_h(self) -> np.ndarray:
+        """Miller h indices for all reflection data points."""
+        return np.fromiter(
+            (p.index_h.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def index_k(self) -> np.ndarray:
+        """Miller k indices for all reflection data points."""
+        return np.fromiter(
+            (p.index_k.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def index_l(self) -> np.ndarray:
+        """Miller l indices for all reflection data points."""
+        return np.fromiter(
+            (p.index_l.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def intensity_meas(self) -> np.ndarray:
+        """Measured structure-factor intensities for all reflections."""
+        return np.fromiter(
+            (p.intensity_meas.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def intensity_meas_su(self) -> np.ndarray:
+        """Standard uncertainties of the measured intensities."""
+        return np.fromiter(
+            (p.intensity_meas_su.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def intensity_calc(self) -> np.ndarray:
+        """Calculated intensities for all reflections."""
+        return np.fromiter(
+            (p.intensity_calc.value for p in self._items),
+            dtype=float,
+        )
+
+    @property
+    def wavelength(self) -> np.ndarray:
+        """Wavelengths associated with each reflection."""
+        return np.fromiter(
+            (p.wavelength.value for p in self._items),
+            dtype=float,
+        )
diff --git a/src/easydiffraction/datablocks/experiment/categories/data/factory.py b/src/easydiffraction/datablocks/experiment/categories/data/factory.py
new file mode 100644
index 00000000..d8cdcf12
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/data/factory.py
@@ -0,0 +1,33 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Data collection factory — delegates to ``FactoryBase``."""
+
+from easydiffraction.core.factory import FactoryBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+
+class DataFactory(FactoryBase):
+    """Factory for creating diffraction data collections."""
+
+    _default_rules = {
+        frozenset({
+            ('sample_form', SampleFormEnum.POWDER),
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('beam_mode', BeamModeEnum.CONSTANT_WAVELENGTH),
+        }): 'bragg-pd',
+        frozenset({
+            ('sample_form', SampleFormEnum.POWDER),
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('beam_mode', BeamModeEnum.TIME_OF_FLIGHT),
+        }): 'bragg-pd-tof',
+        frozenset({
+            ('sample_form', SampleFormEnum.POWDER),
+            ('scattering_type', ScatteringTypeEnum.TOTAL),
+        }): 'total-pd',
+        frozenset({
+            ('sample_form', SampleFormEnum.SINGLE_CRYSTAL),
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+        }): 'bragg-sc',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/data/total_pd.py b/src/easydiffraction/datablocks/experiment/categories/data/total_pd.py
new file mode 100644
index 00000000..c8d0aa9d
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/data/total_pd.py
@@ -0,0 +1,376 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Data categories for total scattering (PDF) experiments."""
+
+from __future__ import annotations
+
+import numpy as np
+
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import MembershipValidator
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class TotalDataPoint(CategoryItem):
+    """
+    Total scattering (PDF) data point in r-space (real space).
+
+    Note: PDF data is always in r-space regardless of whether the
+    original measurement was CWL or TOF.
+    """
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._point_id = StringDescriptor(
+            name='point_id',
+            description='Identifier for this data point in the dataset',
+            value_spec=AttributeSpec(
+                default='0',
+                validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_data.point_id',  # TODO: Use total scattering CIF names
+                ]
+            ),
+        )
+        self._r = NumericDescriptor(
+            name='r',
+            description='Interatomic distance in real space',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_proc.r',  # TODO: Use PDF-specific CIF names
+                ]
+            ),
+        )
+        self._g_r_meas = NumericDescriptor(
+            name='g_r_meas',
+            description='Measured pair distribution function G(r)',
+            value_spec=AttributeSpec(
+                default=0.0,
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_meas.intensity_total',  # TODO: Use PDF-specific CIF names
+                ]
+            ),
+        )
+        self._g_r_meas_su = NumericDescriptor(
+            name='g_r_meas_su',
+            description='Standard uncertainty of measured G(r)',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_meas.intensity_total_su',  # TODO: Use PDF-specific CIF names
+                ]
+            ),
+        )
+        self._g_r_calc = NumericDescriptor(
+            name='g_r_calc',
+            description='Calculated pair distribution function G(r)',
+            value_spec=AttributeSpec(
+                default=0.0,
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_calc.intensity_total',  # TODO: Use PDF-specific CIF names
+                ]
+            ),
+        )
+        self._calc_status = StringDescriptor(
+            name='calc_status',
+            description='Status code of the data point in calculation',
+            value_spec=AttributeSpec(
+                default='incl',
+                validator=MembershipValidator(allowed=['incl', 'excl']),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_pd_data.refinement_status',  # TODO: Use PDF-specific CIF names
+                ]
+            ),
+        )
+
+        self._identity.category_code = 'total_data'
+        self._identity.category_entry_name = lambda: str(self.point_id.value)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def point_id(self) -> StringDescriptor:
+        """
+        Identifier for this data point in the dataset.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._point_id
+
+    @property
+    def r(self) -> NumericDescriptor:
+        """
+        Interatomic distance in real space (Å).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._r
+
+    @property
+    def g_r_meas(self) -> NumericDescriptor:
+        """
+        Measured pair distribution function G(r).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._g_r_meas
+
+    @property
+    def g_r_meas_su(self) -> NumericDescriptor:
+        """
+        Standard uncertainty of measured G(r).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._g_r_meas_su
+
+    @property
+    def g_r_calc(self) -> NumericDescriptor:
+        """
+        Calculated pair distribution function G(r).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object.
+        """
+        return self._g_r_calc
+
+    @property
+    def calc_status(self) -> StringDescriptor:
+        """
+        Status code of the data point in calculation.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._calc_status
+
+
+class TotalDataBase(CategoryCollection):
+    """Base class for total scattering data collections."""
+
+    _update_priority = 100
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _set_point_id(self, values: object) -> None:
+        """Set point IDs."""
+        for p, v in zip(self._items, values, strict=True):
+            p.point_id._value = v
+
+    def _set_g_r_meas(self, values: object) -> None:
+        """Set measured G(r)."""
+        for p, v in zip(self._items, values, strict=True):
+            p.g_r_meas._value = v
+
+    def _set_g_r_meas_su(self, values: object) -> None:
+        """Set standard uncertainty of measured G(r) values."""
+        for p, v in zip(self._items, values, strict=True):
+            p.g_r_meas_su._value = v
+
+    # Can be set multiple times
+
+    def _set_g_r_calc(self, values: object) -> None:
+        """Set calculated G(r)."""
+        for p, v in zip(self._calc_items, values, strict=True):
+            p.g_r_calc._value = v
+
+    def _set_calc_status(self, values: object) -> None:
+        """Set calculation status."""
+        for p, v in zip(self._items, values, strict=True):
+            if v:
+                p.calc_status._value = 'incl'
+            elif not v:
+                p.calc_status._value = 'excl'
+            else:
+                raise ValueError(
+                    f'Invalid calculation status value: {v}. Expected boolean True/False.'
+                )
+
+    @property
+    def _calc_mask(self) -> np.ndarray:
+        return self.calc_status == 'incl'
+
+    @property
+    def _calc_items(self) -> list:
+        """Get only the items included in calculations."""
+        return [item for item, mask in zip(self._items, self._calc_mask, strict=False) if mask]
+
+    # Misc
+
+    def _update(self, called_by_minimizer: bool = False) -> None:
+        experiment = self._parent
+        experiments = experiment._parent
+        project = experiments._parent
+        structures = project.structures
+        calculator = experiment.calculator
+
+        initial_calc = np.zeros_like(self.x)
+        calc = initial_calc
+
+        # TODO: refactor _get_valid_linked_phases to only be responsible
+        #  for returning list. Warning message should be defined here,
+        #  at least some of them.
+        # TODO: Adapt following the _update method in bragg_sc.py
+        for linked_phase in experiment._get_valid_linked_phases(structures):
+            structure_id = linked_phase._identity.category_entry_name
+            structure_scale = linked_phase.scale.value
+            structure = structures[structure_id]
+
+            structure_calc = calculator.calculate_pattern(
+                structure,
+                experiment,
+                called_by_minimizer=called_by_minimizer,
+            )
+
+            structure_scaled_calc = structure_scale * structure_calc
+            calc += structure_scaled_calc
+
+        self._set_g_r_calc(calc)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def calc_status(self) -> np.ndarray:
+        """Refinement-status flags for each data point as an array."""
+        return np.fromiter(
+            (p.calc_status.value for p in self._items),
+            dtype=object,
+        )
+
+    @property
+    def intensity_meas(self) -> np.ndarray:
+        """Measured G(r) values for active data points."""
+        return np.fromiter(
+            (p.g_r_meas.value for p in self._calc_items),
+            dtype=float,
+        )
+
+    @property
+    def intensity_meas_su(self) -> np.ndarray:
+        """Standard uncertainties of the measured G(r) values."""
+        return np.fromiter(
+            (p.g_r_meas_su.value for p in self._calc_items),
+            dtype=float,
+        )
+
+    @property
+    def intensity_calc(self) -> np.ndarray:
+        """Calculated G(r) values for active data points."""
+        return np.fromiter(
+            (p.g_r_calc.value for p in self._calc_items),
+            dtype=float,
+        )
+
+    @property
+    def intensity_bkg(self) -> np.ndarray:
+        """Background is always zero for PDF data."""
+        return np.zeros_like(self.intensity_calc)
+
+
+@DataFactory.register
+class TotalData(TotalDataBase):
+    """
+    Total scattering (PDF) data collection in r-space.
+
+    Note: Works for both CWL and TOF measurements as PDF data is always
+    transformed to r-space.
+    """
+
+    type_info = TypeInfo(
+        tag='total-pd',
+        description='Total scattering (PDF) data',
+    )
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+        scattering_type=frozenset({ScatteringTypeEnum.TOTAL}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.PDFFIT}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__(item_type=TotalDataPoint)
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_xcoord_and_id(self, values: object) -> None:
+        """Set r values."""
+        # TODO: split into multiple methods
+
+        # Create items
+        self._items = [self._item_type() for _ in range(values.size)]
+
+        # Set r values
+        for p, v in zip(self._items, values, strict=True):
+            p.r._value = v
+
+        # Set point IDs
+        self._set_point_id([str(i + 1) for i in range(values.size)])
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def x(self) -> np.ndarray:
+        """Get the r values for data points included in calculations."""
+        return np.fromiter(
+            (p.r.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def unfiltered_x(self) -> np.ndarray:
+        """Get the r values for all data points."""
+        return np.fromiter(
+            (p.r.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
diff --git a/src/easydiffraction/datablocks/experiment/categories/diffrn/__init__.py b/src/easydiffraction/datablocks/experiment/categories/diffrn/__init__.py
new file mode 100644
index 00000000..6c11ee7e
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/diffrn/__init__.py
@@ -0,0 +1,4 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.diffrn.default import DefaultDiffrn
diff --git a/src/easydiffraction/datablocks/experiment/categories/diffrn/default.py b/src/easydiffraction/datablocks/experiment/categories/diffrn/default.py
new file mode 100644
index 00000000..9635fc2e
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/diffrn/default.py
@@ -0,0 +1,136 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Default diffraction ambient-conditions category."""
+
+from __future__ import annotations
+
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.datablocks.experiment.categories.diffrn.factory import DiffrnFactory
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@DiffrnFactory.register
+class DefaultDiffrn(CategoryItem):
+    """Ambient conditions recorded during diffraction measurement."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Diffraction ambient conditions',
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._ambient_temperature = NumericDescriptor(
+            name='ambient_temperature',
+            description='Mean temperature during measurement',
+            units='K',
+            value_spec=AttributeSpec(
+                default=None,
+                allow_none=True,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_diffrn.ambient_temperature']),
+        )
+
+        self._ambient_pressure = NumericDescriptor(
+            name='ambient_pressure',
+            description='Mean hydrostatic pressure during measurement',
+            units='kPa',
+            value_spec=AttributeSpec(
+                default=None,
+                allow_none=True,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_diffrn.ambient_pressure']),
+        )
+
+        self._ambient_magnetic_field = NumericDescriptor(
+            name='ambient_magnetic_field',
+            description='Mean magnetic field during measurement',
+            units='T',
+            value_spec=AttributeSpec(
+                default=None,
+                allow_none=True,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_diffrn.ambient_magnetic_field']),
+        )
+
+        self._ambient_electric_field = NumericDescriptor(
+            name='ambient_electric_field',
+            description='Mean electric field during measurement',
+            units='V/m',
+            value_spec=AttributeSpec(
+                default=None,
+                allow_none=True,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_diffrn.ambient_electric_field']),
+        )
+
+        self._identity.category_code = 'diffrn'
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def ambient_temperature(self) -> NumericDescriptor:
+        """
+        Mean temperature during measurement (K).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the value.
+        """
+        return self._ambient_temperature
+
+    @ambient_temperature.setter
+    def ambient_temperature(self, value: float) -> None:
+        self._ambient_temperature.value = value
+
+    @property
+    def ambient_pressure(self) -> NumericDescriptor:
+        """
+        Mean hydrostatic pressure during measurement (kPa).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the value.
+        """
+        return self._ambient_pressure
+
+    @ambient_pressure.setter
+    def ambient_pressure(self, value: float) -> None:
+        self._ambient_pressure.value = value
+
+    @property
+    def ambient_magnetic_field(self) -> NumericDescriptor:
+        """
+        Mean magnetic field during measurement (T).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the value.
+        """
+        return self._ambient_magnetic_field
+
+    @ambient_magnetic_field.setter
+    def ambient_magnetic_field(self, value: float) -> None:
+        self._ambient_magnetic_field.value = value
+
+    @property
+    def ambient_electric_field(self) -> NumericDescriptor:
+        """
+        Mean electric field during measurement (V/m).
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the value.
+        """
+        return self._ambient_electric_field
+
+    @ambient_electric_field.setter
+    def ambient_electric_field(self, value: float) -> None:
+        self._ambient_electric_field.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/diffrn/factory.py b/src/easydiffraction/datablocks/experiment/categories/diffrn/factory.py
new file mode 100644
index 00000000..ef5fb719
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/diffrn/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Factory for diffraction ambient-conditions categories."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class DiffrnFactory(FactoryBase):
+    """Create diffraction ambient-conditions category instances."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/excluded_regions/__init__.py b/src/easydiffraction/datablocks/experiment/categories/excluded_regions/__init__.py
new file mode 100644
index 00000000..8d232629
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/excluded_regions/__init__.py
@@ -0,0 +1,9 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.excluded_regions.default import (
+    ExcludedRegion,
+)
+from easydiffraction.datablocks.experiment.categories.excluded_regions.default import (
+    ExcludedRegions,
+)
diff --git a/src/easydiffraction/experiments/categories/excluded_regions.py b/src/easydiffraction/datablocks/experiment/categories/excluded_regions/default.py
similarity index 60%
rename from src/easydiffraction/experiments/categories/excluded_regions.py
rename to src/easydiffraction/datablocks/experiment/categories/excluded_regions/default.py
index 0ebce0a4..fdf130c2 100644
--- a/src/easydiffraction/experiments/categories/excluded_regions.py
+++ b/src/easydiffraction/datablocks/experiment/categories/excluded_regions/default.py
@@ -1,19 +1,26 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Exclude ranges of x from fitting/plotting (masked regions)."""
 
+from __future__ import annotations
+
 from typing import List
 
 import numpy as np
 
 from easydiffraction.core.category import CategoryCollection
 from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import StringDescriptor
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
 from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
 from easydiffraction.core.validation import RangeValidator
 from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import NumericDescriptor
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.excluded_regions.factory import (
+    ExcludedRegionsFactory,
+)
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
 from easydiffraction.io.cif.handler import CifHandler
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.utils import render_table
@@ -22,111 +29,119 @@
 class ExcludedRegion(CategoryItem):
     """Closed interval [start, end] to be excluded."""
 
-    def __init__(
-        self,
-        *,
-        id=None,  # TODO: rename as in the case of data points?
-        start=None,
-        end=None,
-    ):
+    def __init__(self) -> None:
         super().__init__()
 
         # TODO: Add point_id as for the background
         self._id = StringDescriptor(
             name='id',
-            description='Identifier for this excluded region.',
+            description='Identifier for this excluded region',
             value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                value=id,
                 default='0',
                 # TODO: the following pattern is valid for dict key
                 #  (keywords are not checked). CIF label is less strict.
                 #  Do we need conversion between CIF and internal label?
-                content_validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_excluded_region.id',
-                ]
+                validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
             ),
+            cif_handler=CifHandler(names=['_excluded_region.id']),
         )
         self._start = NumericDescriptor(
             name='start',
             description='Start of the excluded region.',
             value_spec=AttributeSpec(
-                value=start,
-                type_=DataTypes.NUMERIC,
                 default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_excluded_region.start',
-                ]
+                validator=RangeValidator(),
             ),
+            cif_handler=CifHandler(names=['_excluded_region.start']),
         )
         self._end = NumericDescriptor(
             name='end',
             description='End of the excluded region.',
             value_spec=AttributeSpec(
-                value=end,
-                type_=DataTypes.NUMERIC,
                 default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_excluded_region.end',
-                ]
+                validator=RangeValidator(),
             ),
+            cif_handler=CifHandler(names=['_excluded_region.end']),
         )
-        # self._category_entry_attr_name = f'{start}-{end}'
-        # self._category_entry_attr_name = self.start.name
-        # self.name = self.start.value
         self._identity.category_code = 'excluded_regions'
         self._identity.category_entry_name = lambda: str(self._id.value)
 
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
     @property
-    def id(self):
+    def id(self) -> StringDescriptor:
+        """
+        Identifier for this excluded region.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._id
 
     @id.setter
-    def id(self, value):
+    def id(self, value: str) -> None:
         self._id.value = value
 
     @property
     def start(self) -> NumericDescriptor:
+        """
+        Start of the excluded region.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._start
 
     @start.setter
-    def start(self, value: float):
+    def start(self, value: float) -> None:
         self._start.value = value
 
     @property
     def end(self) -> NumericDescriptor:
+        """
+        End of the excluded region.
+
+        Reading this property returns the underlying
+        ``NumericDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
         return self._end
 
     @end.setter
-    def end(self, value: float):
+    def end(self, value: float) -> None:
         self._end.value = value
 
 
+@ExcludedRegionsFactory.register
 class ExcludedRegions(CategoryCollection):
-    """Collection of ExcludedRegion instances.
+    """
+    Collection of ExcludedRegion instances.
 
     Excluded regions define closed intervals [start, end] on the x-axis
     that are to be excluded from calculations and, as a result, from
     fitting and plotting.
     """
 
-    def __init__(self):
+    type_info = TypeInfo(
+        tag='default',
+        description='Excluded x-axis regions for fitting and plotting',
+    )
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+    )
+
+    def __init__(self) -> None:
         super().__init__(item_type=ExcludedRegion)
 
-    def _update(self, called_by_minimizer=False):
+    def _update(self, called_by_minimizer: bool = False) -> None:
         del called_by_minimizer
 
         data = self._parent.data
-        x = data.all_x
+        x = data.unfiltered_x
 
         # Start with a mask of all False (nothing excluded yet)
         combined_mask = np.full_like(x, fill_value=False, dtype=bool)
diff --git a/src/easydiffraction/datablocks/experiment/categories/excluded_regions/factory.py b/src/easydiffraction/datablocks/experiment/categories/excluded_regions/factory.py
new file mode 100644
index 00000000..e12fb0c0
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/excluded_regions/factory.py
@@ -0,0 +1,17 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Excluded-regions factory — delegates entirely to ``FactoryBase``.
+"""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class ExcludedRegionsFactory(FactoryBase):
+    """Create excluded-regions collections by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/experiment_type/__init__.py b/src/easydiffraction/datablocks/experiment/categories/experiment_type/__init__.py
new file mode 100644
index 00000000..197b5510
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/experiment_type/__init__.py
@@ -0,0 +1,4 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.experiment_type.default import ExperimentType
diff --git a/src/easydiffraction/datablocks/experiment/categories/experiment_type/default.py b/src/easydiffraction/datablocks/experiment/categories/experiment_type/default.py
new file mode 100644
index 00000000..1b9d3811
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/experiment_type/default.py
@@ -0,0 +1,142 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Experiment type descriptor (form, beam, probe, scattering).
+
+This lightweight container stores the categorical attributes defining an
+experiment configuration and handles CIF serialization via
+``CifHandler``.
+"""
+
+from __future__ import annotations
+
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import MembershipValidator
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.experiment_type.factory import (
+    ExperimentTypeFactory,
+)
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@ExperimentTypeFactory.register
+class ExperimentType(CategoryItem):
+    """Container of attributes defining the experiment type."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Experiment type descriptor',
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._sample_form = StringDescriptor(
+            name='sample_form',
+            description='Powder diffraction or single crystal diffraction',
+            value_spec=AttributeSpec(
+                default=SampleFormEnum.default().value,
+                validator=MembershipValidator(allowed=[member.value for member in SampleFormEnum]),
+            ),
+            cif_handler=CifHandler(names=['_expt_type.sample_form']),
+        )
+
+        self._beam_mode = StringDescriptor(
+            name='beam_mode',
+            description='Constant wavelength (CW) or time-of-flight (TOF) measurement',
+            value_spec=AttributeSpec(
+                default=BeamModeEnum.default().value,
+                validator=MembershipValidator(allowed=[member.value for member in BeamModeEnum]),
+            ),
+            cif_handler=CifHandler(names=['_expt_type.beam_mode']),
+        )
+        self._radiation_probe = StringDescriptor(
+            name='radiation_probe',
+            description='Neutron or X-ray diffraction measurement',
+            value_spec=AttributeSpec(
+                default=RadiationProbeEnum.default().value,
+                validator=MembershipValidator(
+                    allowed=[member.value for member in RadiationProbeEnum]
+                ),
+            ),
+            cif_handler=CifHandler(names=['_expt_type.radiation_probe']),
+        )
+        self._scattering_type = StringDescriptor(
+            name='scattering_type',
+            description='Conventional Bragg diffraction or total scattering (PDF)',
+            value_spec=AttributeSpec(
+                default=ScatteringTypeEnum.default().value,
+                validator=MembershipValidator(
+                    allowed=[member.value for member in ScatteringTypeEnum]
+                ),
+            ),
+            cif_handler=CifHandler(names=['_expt_type.scattering_type']),
+        )
+
+        self._identity.category_code = 'expt_type'
+
+    # ------------------------------------------------------------------
+    #  Private setters (used by factories and loaders only)
+    # ------------------------------------------------------------------
+
+    def _set_sample_form(self, value: str) -> None:
+        self._sample_form.value = value
+
+    def _set_beam_mode(self, value: str) -> None:
+        self._beam_mode.value = value
+
+    def _set_radiation_probe(self, value: str) -> None:
+        self._radiation_probe.value = value
+
+    def _set_scattering_type(self, value: str) -> None:
+        self._scattering_type.value = value
+
+    # ------------------------------------------------------------------
+    #  Public read-only properties
+    # ------------------------------------------------------------------
+
+    @property
+    def sample_form(self) -> StringDescriptor:
+        """
+        Powder diffraction or single crystal diffraction.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._sample_form
+
+    @property
+    def beam_mode(self) -> StringDescriptor:
+        """
+        Constant wavelength (CW) or time-of-flight (TOF) measurement.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._beam_mode
+
+    @property
+    def radiation_probe(self) -> StringDescriptor:
+        """
+        Neutron or X-ray diffraction measurement.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._radiation_probe
+
+    @property
+    def scattering_type(self) -> StringDescriptor:
+        """
+        Conventional Bragg diffraction or total scattering (PDF).
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object.
+        """
+        return self._scattering_type
diff --git a/src/easydiffraction/datablocks/experiment/categories/experiment_type/factory.py b/src/easydiffraction/datablocks/experiment/categories/experiment_type/factory.py
new file mode 100644
index 00000000..05f0d2d9
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/experiment_type/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Experiment-type factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class ExperimentTypeFactory(FactoryBase):
+    """Create experiment-type descriptors by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/extinction/__init__.py b/src/easydiffraction/datablocks/experiment/categories/extinction/__init__.py
new file mode 100644
index 00000000..3e6fa39a
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/extinction/__init__.py
@@ -0,0 +1,4 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.extinction.shelx import ShelxExtinction
diff --git a/src/easydiffraction/datablocks/experiment/categories/extinction/factory.py b/src/easydiffraction/datablocks/experiment/categories/extinction/factory.py
new file mode 100644
index 00000000..4e4bd9ed
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/extinction/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Extinction factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class ExtinctionFactory(FactoryBase):
+    """Create extinction correction models by tag."""
+
+    _default_rules = {
+        frozenset(): 'shelx',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/extinction/shelx.py b/src/easydiffraction/datablocks/experiment/categories/extinction/shelx.py
new file mode 100644
index 00000000..dd736a1a
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/extinction/shelx.py
@@ -0,0 +1,94 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Shelx-style isotropic extinction correction."""
+
+from __future__ import annotations
+
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.datablocks.experiment.categories.extinction.factory import ExtinctionFactory
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@ExtinctionFactory.register
+class ShelxExtinction(CategoryItem):
+    """Shelx-style extinction correction for single crystals."""
+
+    type_info = TypeInfo(
+        tag='shelx',
+        description='Shelx-style isotropic extinction correction',
+    )
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._mosaicity = Parameter(
+            name='mosaicity',
+            description='Mosaicity value for extinction correction',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=1.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_extinction.mosaicity',
+                ]
+            ),
+        )
+        self._radius = Parameter(
+            name='radius',
+            description='Crystal radius for extinction correction',
+            units='µm',
+            value_spec=AttributeSpec(
+                default=1.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_extinction.radius',
+                ]
+            ),
+        )
+
+        self._identity.category_code = 'extinction'
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def mosaicity(self) -> Parameter:
+        """
+        Mosaicity value for extinction correction (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._mosaicity
+
+    @mosaicity.setter
+    def mosaicity(self, value: float) -> None:
+        self._mosaicity.value = value
+
+    @property
+    def radius(self) -> Parameter:
+        """
+        Crystal radius for extinction correction (µm).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._radius
+
+    @radius.setter
+    def radius(self, value: float) -> None:
+        self._radius.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/instrument/__init__.py b/src/easydiffraction/datablocks/experiment/categories/instrument/__init__.py
new file mode 100644
index 00000000..d12b40c3
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/instrument/__init__.py
@@ -0,0 +1,7 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.instrument.cwl import CwlPdInstrument
+from easydiffraction.datablocks.experiment.categories.instrument.cwl import CwlScInstrument
+from easydiffraction.datablocks.experiment.categories.instrument.tof import TofPdInstrument
+from easydiffraction.datablocks.experiment.categories.instrument.tof import TofScInstrument
diff --git a/src/easydiffraction/experiments/categories/instrument/base.py b/src/easydiffraction/datablocks/experiment/categories/instrument/base.py
similarity index 72%
rename from src/easydiffraction/experiments/categories/instrument/base.py
rename to src/easydiffraction/datablocks/experiment/categories/instrument/base.py
index 0d1c04d5..a2568884 100644
--- a/src/easydiffraction/experiments/categories/instrument/base.py
+++ b/src/easydiffraction/datablocks/experiment/categories/instrument/base.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Instrument category base definitions for CWL/TOF instruments.
+"""
+Instrument category base definitions for CWL/TOF instruments.
 
 This module provides the shared parent used by concrete instrument
 implementations under the instrument category.
@@ -12,7 +13,8 @@
 
 
 class InstrumentBase(CategoryItem):
-    """Base class for instrument category items.
+    """
+    Base class for instrument category items.
 
     This class sets the common ``category_code`` and is used as a base
     for concrete CWL/TOF instrument definitions.
diff --git a/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py b/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py
new file mode 100644
index 00000000..3a3628bd
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py
@@ -0,0 +1,127 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.datablocks.experiment.categories.instrument.base import InstrumentBase
+from easydiffraction.datablocks.experiment.categories.instrument.factory import InstrumentFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class CwlInstrumentBase(InstrumentBase):
+    """Base class for constant-wavelength instruments."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._setup_wavelength: Parameter = Parameter(
+            name='wavelength',
+            description='Incident neutron or X-ray wavelength',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=1.5406,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_instr.wavelength',
+                ]
+            ),
+        )
+
+    @property
+    def setup_wavelength(self) -> Parameter:
+        """
+        Incident neutron or X-ray wavelength (Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._setup_wavelength
+
+    @setup_wavelength.setter
+    def setup_wavelength(self, value: float) -> None:
+        self._setup_wavelength.value = value
+
+
+@InstrumentFactory.register
+class CwlScInstrument(CwlInstrumentBase):
+    """CW single-crystal diffractometer."""
+
+    type_info = TypeInfo(
+        tag='cwl-sc',
+        description='CW single-crystal diffractometer',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+
+@InstrumentFactory.register
+class CwlPdInstrument(CwlInstrumentBase):
+    """CW powder diffractometer."""
+
+    type_info = TypeInfo(
+        tag='cwl-pd',
+        description='CW powder diffractometer',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG, ScatteringTypeEnum.TOTAL}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({
+            CalculatorEnum.CRYSPY,
+            CalculatorEnum.CRYSFML,
+            CalculatorEnum.PDFFIT,
+        }),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._calib_twotheta_offset: Parameter = Parameter(
+            name='twotheta_offset',
+            description='Instrument misalignment offset',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_instr.2theta_offset',
+                ]
+            ),
+        )
+
+    @property
+    def calib_twotheta_offset(self) -> Parameter:
+        """
+        Instrument misalignment offset (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_twotheta_offset
+
+    @calib_twotheta_offset.setter
+    def calib_twotheta_offset(self, value: float) -> None:
+        self._calib_twotheta_offset.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/instrument/factory.py b/src/easydiffraction/datablocks/experiment/categories/instrument/factory.py
new file mode 100644
index 00000000..fce8ad5c
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/instrument/factory.py
@@ -0,0 +1,30 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Instrument factory — delegates to ``FactoryBase``."""
+
+from easydiffraction.core.factory import FactoryBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+
+
+class InstrumentFactory(FactoryBase):
+    """Create instrument instances for supported modes."""
+
+    _default_rules = {
+        frozenset({
+            ('beam_mode', BeamModeEnum.CONSTANT_WAVELENGTH),
+            ('sample_form', SampleFormEnum.POWDER),
+        }): 'cwl-pd',
+        frozenset({
+            ('beam_mode', BeamModeEnum.CONSTANT_WAVELENGTH),
+            ('sample_form', SampleFormEnum.SINGLE_CRYSTAL),
+        }): 'cwl-sc',
+        frozenset({
+            ('beam_mode', BeamModeEnum.TIME_OF_FLIGHT),
+            ('sample_form', SampleFormEnum.POWDER),
+        }): 'tof-pd',
+        frozenset({
+            ('beam_mode', BeamModeEnum.TIME_OF_FLIGHT),
+            ('sample_form', SampleFormEnum.SINGLE_CRYSTAL),
+        }): 'tof-sc',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/instrument/tof.py b/src/easydiffraction/datablocks/experiment/categories/instrument/tof.py
new file mode 100644
index 00000000..7e1db98e
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/instrument/tof.py
@@ -0,0 +1,179 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.datablocks.experiment.categories.instrument.base import InstrumentBase
+from easydiffraction.datablocks.experiment.categories.instrument.factory import InstrumentFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@InstrumentFactory.register
+class TofScInstrument(InstrumentBase):
+    """TOF single-crystal diffractometer."""
+
+    type_info = TypeInfo(
+        tag='tof-sc',
+        description='TOF single-crystal diffractometer',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+
+@InstrumentFactory.register
+class TofPdInstrument(InstrumentBase):
+    """TOF powder diffractometer."""
+
+    type_info = TypeInfo(
+        tag='tof-pd',
+        description='TOF powder diffractometer',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._setup_twotheta_bank: Parameter = Parameter(
+            name='twotheta_bank',
+            description='Detector bank position',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=150.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_instr.2theta_bank']),
+        )
+        self._calib_d_to_tof_offset: Parameter = Parameter(
+            name='d_to_tof_offset',
+            description='TOF offset',
+            units='µs',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_instr.d_to_tof_offset']),
+        )
+        self._calib_d_to_tof_linear: Parameter = Parameter(
+            name='d_to_tof_linear',
+            description='TOF linear conversion',
+            units='µs/Å',
+            value_spec=AttributeSpec(
+                default=10000.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_instr.d_to_tof_linear']),
+        )
+        self._calib_d_to_tof_quad: Parameter = Parameter(
+            name='d_to_tof_quad',
+            description='TOF quadratic correction',
+            units='µs/Ų',
+            value_spec=AttributeSpec(
+                default=-0.00001,  # TODO: Fix CrysPy to accept 0
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_instr.d_to_tof_quad']),
+        )
+        self._calib_d_to_tof_recip: Parameter = Parameter(
+            name='d_to_tof_recip',
+            description='TOF reciprocal velocity correction',
+            units='µs·Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_instr.d_to_tof_recip']),
+        )
+
+    @property
+    def setup_twotheta_bank(self) -> Parameter:
+        """
+        Detector bank position (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._setup_twotheta_bank
+
+    @setup_twotheta_bank.setter
+    def setup_twotheta_bank(self, value: float) -> None:
+        self._setup_twotheta_bank.value = value
+
+    @property
+    def calib_d_to_tof_offset(self) -> Parameter:
+        """
+        TOF offset (µs).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_d_to_tof_offset
+
+    @calib_d_to_tof_offset.setter
+    def calib_d_to_tof_offset(self, value: float) -> None:
+        self._calib_d_to_tof_offset.value = value
+
+    @property
+    def calib_d_to_tof_linear(self) -> Parameter:
+        """
+        TOF linear conversion (µs/Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_d_to_tof_linear
+
+    @calib_d_to_tof_linear.setter
+    def calib_d_to_tof_linear(self, value: float) -> None:
+        self._calib_d_to_tof_linear.value = value
+
+    @property
+    def calib_d_to_tof_quad(self) -> Parameter:
+        """
+        TOF quadratic correction (µs/Ų).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_d_to_tof_quad
+
+    @calib_d_to_tof_quad.setter
+    def calib_d_to_tof_quad(self, value: float) -> None:
+        self._calib_d_to_tof_quad.value = value
+
+    @property
+    def calib_d_to_tof_recip(self) -> Parameter:
+        """
+        TOF reciprocal velocity correction (µs·Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_d_to_tof_recip
+
+    @calib_d_to_tof_recip.setter
+    def calib_d_to_tof_recip(self, value: float) -> None:
+        self._calib_d_to_tof_recip.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/linked_crystal/__init__.py b/src/easydiffraction/datablocks/experiment/categories/linked_crystal/__init__.py
new file mode 100644
index 00000000..4b93121b
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/linked_crystal/__init__.py
@@ -0,0 +1,4 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.linked_crystal.default import LinkedCrystal
diff --git a/src/easydiffraction/datablocks/experiment/categories/linked_crystal/default.py b/src/easydiffraction/datablocks/experiment/categories/linked_crystal/default.py
new file mode 100644
index 00000000..d441aa9c
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/linked_crystal/default.py
@@ -0,0 +1,89 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Default linked-crystal reference (id + scale)."""
+
+from __future__ import annotations
+
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.linked_crystal.factory import (
+    LinkedCrystalFactory,
+)
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@LinkedCrystalFactory.register
+class LinkedCrystal(CategoryItem):
+    """Linked crystal reference for single-crystal diffraction."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Crystal reference with id and scale factor',
+    )
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._id = StringDescriptor(
+            name='id',
+            description='Identifier of the linked crystal',
+            value_spec=AttributeSpec(
+                default='Si',
+                validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_sc_crystal_block.id']),
+        )
+        self._scale = Parameter(
+            name='scale',
+            description='Scale factor of the linked crystal',
+            value_spec=AttributeSpec(
+                default=1.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_sc_crystal_block.scale']),
+        )
+
+        self._identity.category_code = 'linked_crystal'
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def id(self) -> StringDescriptor:
+        """
+        Identifier of the linked crystal.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._id
+
+    @id.setter
+    def id(self, value: str) -> None:
+        self._id.value = value
+
+    @property
+    def scale(self) -> Parameter:
+        """
+        Scale factor of the linked crystal.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._scale
+
+    @scale.setter
+    def scale(self, value: float) -> None:
+        self._scale.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/linked_crystal/factory.py b/src/easydiffraction/datablocks/experiment/categories/linked_crystal/factory.py
new file mode 100644
index 00000000..b34b8073
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/linked_crystal/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Linked-crystal factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class LinkedCrystalFactory(FactoryBase):
+    """Create linked-crystal references by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/linked_phases/__init__.py b/src/easydiffraction/datablocks/experiment/categories/linked_phases/__init__.py
new file mode 100644
index 00000000..dda7d445
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/linked_phases/__init__.py
@@ -0,0 +1,5 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.linked_phases.default import LinkedPhase
+from easydiffraction.datablocks.experiment.categories.linked_phases.default import LinkedPhases
diff --git a/src/easydiffraction/datablocks/experiment/categories/linked_phases/default.py b/src/easydiffraction/datablocks/experiment/categories/linked_phases/default.py
new file mode 100644
index 00000000..97d03c66
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/linked_phases/default.py
@@ -0,0 +1,99 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Linked phases allow combining phases with scale factors."""
+
+from __future__ import annotations
+
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.experiment.categories.linked_phases.factory import (
+    LinkedPhasesFactory,
+)
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class LinkedPhase(CategoryItem):
+    """Link to a phase by id with a scale factor."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._id = StringDescriptor(
+            name='id',
+            description='Identifier of the linked phase',
+            value_spec=AttributeSpec(
+                default='Si',
+                validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_pd_phase_block.id']),
+        )
+        self._scale = Parameter(
+            name='scale',
+            description='Scale factor of the linked phase.',
+            value_spec=AttributeSpec(
+                default=1.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_pd_phase_block.scale']),
+        )
+
+        self._identity.category_code = 'linked_phases'
+        self._identity.category_entry_name = lambda: str(self.id.value)
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def id(self) -> StringDescriptor:
+        """
+        Identifier of the linked phase.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._id
+
+    @id.setter
+    def id(self, value: str) -> None:
+        self._id.value = value
+
+    @property
+    def scale(self) -> Parameter:
+        """
+        Scale factor of the linked phase.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._scale
+
+    @scale.setter
+    def scale(self, value: float) -> None:
+        self._scale.value = value
+
+
+@LinkedPhasesFactory.register
+class LinkedPhases(CategoryCollection):
+    """Collection of LinkedPhase instances."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Phase references with scale factors',
+    )
+    compatibility = Compatibility(
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+    )
+
+    def __init__(self) -> None:
+        """Create an empty collection of linked phases."""
+        super().__init__(item_type=LinkedPhase)
diff --git a/src/easydiffraction/datablocks/experiment/categories/linked_phases/factory.py b/src/easydiffraction/datablocks/experiment/categories/linked_phases/factory.py
new file mode 100644
index 00000000..56970ee8
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/linked_phases/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Linked-phases factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class LinkedPhasesFactory(FactoryBase):
+    """Create linked-phases collections by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/__init__.py b/src/easydiffraction/datablocks/experiment/categories/peak/__init__.py
new file mode 100644
index 00000000..667bafb4
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/__init__.py
@@ -0,0 +1,10 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlPseudoVoigt
+from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlSplitPseudoVoigt
+from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlThompsonCoxHastings
+from easydiffraction.datablocks.experiment.categories.peak.tof import TofPseudoVoigt
+from easydiffraction.datablocks.experiment.categories.peak.tof import TofPseudoVoigtBackToBack
+from easydiffraction.datablocks.experiment.categories.peak.tof import TofPseudoVoigtIkedaCarpenter
+from easydiffraction.datablocks.experiment.categories.peak.total import TotalGaussianDampedSinc
diff --git a/src/easydiffraction/experiments/categories/peak/base.py b/src/easydiffraction/datablocks/experiment/categories/peak/base.py
similarity index 75%
rename from src/easydiffraction/experiments/categories/peak/base.py
rename to src/easydiffraction/datablocks/experiment/categories/peak/base.py
index 5f2654a7..050411b1 100644
--- a/src/easydiffraction/experiments/categories/peak/base.py
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Base class for peak profile categories."""
 
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/cwl.py b/src/easydiffraction/datablocks/experiment/categories/peak/cwl.py
new file mode 100644
index 00000000..a2b4f63b
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/cwl.py
@@ -0,0 +1,88 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Constant-wavelength peak profile classes."""
+
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.categories.peak.base import PeakBase
+from easydiffraction.datablocks.experiment.categories.peak.cwl_mixins import CwlBroadeningMixin
+from easydiffraction.datablocks.experiment.categories.peak.cwl_mixins import (
+    EmpiricalAsymmetryMixin,
+)
+from easydiffraction.datablocks.experiment.categories.peak.cwl_mixins import FcjAsymmetryMixin
+from easydiffraction.datablocks.experiment.categories.peak.factory import PeakFactory
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+
+@PeakFactory.register
+class CwlPseudoVoigt(
+    PeakBase,
+    CwlBroadeningMixin,
+):
+    """Constant-wavelength pseudo-Voigt peak shape."""
+
+    type_info = TypeInfo(
+        tag='pseudo-voigt',
+        description='Pseudo-Voigt profile',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+
+@PeakFactory.register
+class CwlSplitPseudoVoigt(
+    PeakBase,
+    CwlBroadeningMixin,
+    EmpiricalAsymmetryMixin,
+):
+    """Split pseudo-Voigt (empirical asymmetry) for CWL mode."""
+
+    type_info = TypeInfo(
+        tag='split pseudo-voigt',
+        description='Split pseudo-Voigt with empirical asymmetry correction',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+
+@PeakFactory.register
+class CwlThompsonCoxHastings(
+    PeakBase,
+    CwlBroadeningMixin,
+    FcjAsymmetryMixin,
+):
+    """Thompson–Cox–Hastings with FCJ asymmetry for CWL mode."""
+
+    type_info = TypeInfo(
+        tag='thompson-cox-hastings',
+        description='Thompson-Cox-Hastings with FCJ asymmetry correction',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/cwl_mixins.py b/src/easydiffraction/datablocks/experiment/categories/peak/cwl_mixins.py
new file mode 100644
index 00000000..6e4f29c8
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/cwl_mixins.py
@@ -0,0 +1,314 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Constant-wavelength (CWL) peak-profile component classes.
+
+This module provides classes that add broadening and asymmetry
+parameters. They are composed into concrete peak classes elsewhere via
+multiple inheritance.
+"""
+
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class CwlBroadeningMixin:
+    """CWL Gaussian and Lorentz broadening parameters."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._broad_gauss_u: Parameter = Parameter(
+            name='broad_gauss_u',
+            description='Gaussian broadening from sample size and resolution',
+            units='deg²',
+            value_spec=AttributeSpec(
+                default=0.01,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.broad_gauss_u']),
+        )
+        self._broad_gauss_v: Parameter = Parameter(
+            name='broad_gauss_v',
+            description='Gaussian broadening instrumental contribution',
+            units='deg²',
+            value_spec=AttributeSpec(
+                default=-0.01,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.broad_gauss_v']),
+        )
+        self._broad_gauss_w: Parameter = Parameter(
+            name='broad_gauss_w',
+            description='Gaussian broadening instrumental contribution',
+            units='deg²',
+            value_spec=AttributeSpec(
+                default=0.02,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.broad_gauss_w']),
+        )
+        self._broad_lorentz_x: Parameter = Parameter(
+            name='broad_lorentz_x',
+            description='Lorentzian broadening from sample strain effects',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.broad_lorentz_x']),
+        )
+        self._broad_lorentz_y: Parameter = Parameter(
+            name='broad_lorentz_y',
+            description='Lorentzian broadening from microstructural defects',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.broad_lorentz_y']),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def broad_gauss_u(self) -> Parameter:
+        """
+        Gaussian broadening from sample size and resolution (deg²).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_gauss_u
+
+    @broad_gauss_u.setter
+    def broad_gauss_u(self, value: float) -> None:
+        self._broad_gauss_u.value = value
+
+    @property
+    def broad_gauss_v(self) -> Parameter:
+        """
+        Gaussian broadening instrumental contribution (deg²).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_gauss_v
+
+    @broad_gauss_v.setter
+    def broad_gauss_v(self, value: float) -> None:
+        self._broad_gauss_v.value = value
+
+    @property
+    def broad_gauss_w(self) -> Parameter:
+        """
+        Gaussian broadening instrumental contribution (deg²).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_gauss_w
+
+    @broad_gauss_w.setter
+    def broad_gauss_w(self, value: float) -> None:
+        self._broad_gauss_w.value = value
+
+    @property
+    def broad_lorentz_x(self) -> Parameter:
+        """
+        Lorentzian broadening (sample strain effects) (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_lorentz_x
+
+    @broad_lorentz_x.setter
+    def broad_lorentz_x(self, value: float) -> None:
+        self._broad_lorentz_x.value = value
+
+    @property
+    def broad_lorentz_y(self) -> Parameter:
+        """
+        Lorentzian broadening from microstructural defects (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_lorentz_y
+
+    @broad_lorentz_y.setter
+    def broad_lorentz_y(self, value: float) -> None:
+        self._broad_lorentz_y.value = value
+
+
+class EmpiricalAsymmetryMixin:
+    """Empirical CWL peak asymmetry parameters."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._asym_empir_1: Parameter = Parameter(
+            name='asym_empir_1',
+            description='Empirical asymmetry coefficient p1',
+            units='',
+            value_spec=AttributeSpec(
+                default=0.1,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_empir_1']),
+        )
+        self._asym_empir_2: Parameter = Parameter(
+            name='asym_empir_2',
+            description='Empirical asymmetry coefficient p2',
+            units='',
+            value_spec=AttributeSpec(
+                default=0.2,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_empir_2']),
+        )
+        self._asym_empir_3: Parameter = Parameter(
+            name='asym_empir_3',
+            description='Empirical asymmetry coefficient p3',
+            units='',
+            value_spec=AttributeSpec(
+                default=0.3,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_empir_3']),
+        )
+        self._asym_empir_4: Parameter = Parameter(
+            name='asym_empir_4',
+            description='Empirical asymmetry coefficient p4',
+            units='',
+            value_spec=AttributeSpec(
+                default=0.4,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_empir_4']),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def asym_empir_1(self) -> Parameter:
+        """
+        Empirical asymmetry coefficient p1.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_empir_1
+
+    @asym_empir_1.setter
+    def asym_empir_1(self, value: float) -> None:
+        self._asym_empir_1.value = value
+
+    @property
+    def asym_empir_2(self) -> Parameter:
+        """
+        Empirical asymmetry coefficient p2.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_empir_2
+
+    @asym_empir_2.setter
+    def asym_empir_2(self, value: float) -> None:
+        self._asym_empir_2.value = value
+
+    @property
+    def asym_empir_3(self) -> Parameter:
+        """
+        Empirical asymmetry coefficient p3.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_empir_3
+
+    @asym_empir_3.setter
+    def asym_empir_3(self, value: float) -> None:
+        self._asym_empir_3.value = value
+
+    @property
+    def asym_empir_4(self) -> Parameter:
+        """
+        Empirical asymmetry coefficient p4.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_empir_4
+
+    @asym_empir_4.setter
+    def asym_empir_4(self, value: float) -> None:
+        self._asym_empir_4.value = value
+
+
+class FcjAsymmetryMixin:
+    """Finger–Cox–Jephcoat (FCJ) asymmetry parameters."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._asym_fcj_1: Parameter = Parameter(
+            name='asym_fcj_1',
+            description='Finger-Cox-Jephcoat asymmetry parameter 1',
+            units='',
+            value_spec=AttributeSpec(
+                default=0.01,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_fcj_1']),
+        )
+        self._asym_fcj_2: Parameter = Parameter(
+            name='asym_fcj_2',
+            description='Finger-Cox-Jephcoat asymmetry parameter 2',
+            units='',
+            value_spec=AttributeSpec(
+                default=0.02,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_fcj_2']),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def asym_fcj_1(self) -> Parameter:
+        """
+        Finger-Cox-Jephcoat asymmetry parameter 1.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_fcj_1
+
+    @asym_fcj_1.setter
+    def asym_fcj_1(self, value: float) -> None:
+        self._asym_fcj_1.value = value
+
+    @property
+    def asym_fcj_2(self) -> Parameter:
+        """
+        Finger-Cox-Jephcoat asymmetry parameter 2.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_fcj_2
+
+    @asym_fcj_2.setter
+    def asym_fcj_2(self, value: float) -> None:
+        self._asym_fcj_2.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/factory.py b/src/easydiffraction/datablocks/experiment/categories/peak/factory.py
new file mode 100644
index 00000000..ca196748
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/factory.py
@@ -0,0 +1,26 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Peak profile factory — delegates to ``FactoryBase``."""
+
+from easydiffraction.core.factory import FactoryBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import PeakProfileTypeEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+
+class PeakFactory(FactoryBase):
+    """Factory for creating peak profile objects."""
+
+    _default_rules = {
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('beam_mode', BeamModeEnum.CONSTANT_WAVELENGTH),
+        }): PeakProfileTypeEnum.PSEUDO_VOIGT,
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('beam_mode', BeamModeEnum.TIME_OF_FLIGHT),
+        }): PeakProfileTypeEnum.PSEUDO_VOIGT_IKEDA_CARPENTER,
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.TOTAL),
+        }): PeakProfileTypeEnum.GAUSSIAN_DAMPED_SINC,
+    }
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/tof.py b/src/easydiffraction/datablocks/experiment/categories/peak/tof.py
new file mode 100644
index 00000000..59c0b9e3
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/tof.py
@@ -0,0 +1,87 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Time-of-flight peak profile classes."""
+
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.categories.peak.base import PeakBase
+from easydiffraction.datablocks.experiment.categories.peak.factory import PeakFactory
+from easydiffraction.datablocks.experiment.categories.peak.tof_mixins import (
+    IkedaCarpenterAsymmetryMixin,
+)
+from easydiffraction.datablocks.experiment.categories.peak.tof_mixins import TofBroadeningMixin
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+
+@PeakFactory.register
+class TofPseudoVoigt(
+    PeakBase,
+    TofBroadeningMixin,
+):
+    """Time-of-flight pseudo-Voigt peak shape."""
+
+    type_info = TypeInfo(
+        tag='tof-pseudo-voigt',
+        description='TOF pseudo-Voigt profile',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+
+@PeakFactory.register
+class TofPseudoVoigtIkedaCarpenter(
+    PeakBase,
+    TofBroadeningMixin,
+    IkedaCarpenterAsymmetryMixin,
+):
+    """TOF pseudo-Voigt with Ikeda–Carpenter asymmetry."""
+
+    type_info = TypeInfo(
+        tag='pseudo-voigt * ikeda-carpenter',
+        description='Pseudo-Voigt with Ikeda-Carpenter asymmetry correction',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
+
+
+@PeakFactory.register
+class TofPseudoVoigtBackToBack(
+    PeakBase,
+    TofBroadeningMixin,
+    IkedaCarpenterAsymmetryMixin,
+):
+    """TOF back-to-back pseudo-Voigt with asymmetry."""
+
+    type_info = TypeInfo(
+        tag='pseudo-voigt * back-to-back',
+        description='TOF back-to-back pseudo-Voigt with asymmetry',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.CRYSPY, CalculatorEnum.CRYSFML}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/tof_mixins.py b/src/easydiffraction/datablocks/experiment/categories/peak/tof_mixins.py
new file mode 100644
index 00000000..8093d877
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/tof_mixins.py
@@ -0,0 +1,276 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Time-of-flight (TOF) peak-profile component classes.
+
+Defines classes that add Gaussian/Lorentz broadening, mixing, and
+Ikeda–Carpenter asymmetry parameters used by TOF peak shapes. This
+module provides classes that add broadening and asymmetry parameters.
+They are composed into concrete peak classes elsewhere via multiple
+inheritance.
+"""
+
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class TofBroadeningMixin:
+    """TOF Gaussian/Lorentz broadening and mixing parameters."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._broad_gauss_sigma_0 = Parameter(
+            name='gauss_sigma_0',
+            description='Gaussian broadening (instrumental resolution)',
+            units='µs²',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.gauss_sigma_0']),
+        )
+        self._broad_gauss_sigma_1 = Parameter(
+            name='gauss_sigma_1',
+            description='Gaussian broadening (dependent on d-spacing)',
+            units='µs/Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.gauss_sigma_1']),
+        )
+        self._broad_gauss_sigma_2 = Parameter(
+            name='gauss_sigma_2',
+            description='Gaussian broadening (instrument-dependent term)',
+            units='µs²/Ų',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.gauss_sigma_2']),
+        )
+        self._broad_lorentz_gamma_0 = Parameter(
+            name='lorentz_gamma_0',
+            description='Lorentzian broadening (microstrain effects)',
+            units='µs',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.lorentz_gamma_0']),
+        )
+        self._broad_lorentz_gamma_1 = Parameter(
+            name='lorentz_gamma_1',
+            description='Lorentzian broadening (dependent on d-spacing)',
+            units='µs/Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.lorentz_gamma_1']),
+        )
+        self._broad_lorentz_gamma_2 = Parameter(
+            name='lorentz_gamma_2',
+            description='Lorentzian broadening (instrument-dependent term)',
+            units='µs²/Ų',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.lorentz_gamma_2']),
+        )
+        self._broad_mix_beta_0 = Parameter(
+            name='mix_beta_0',
+            description='Ratio of Gaussian to Lorentzian contributions',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.mix_beta_0']),
+        )
+        self._broad_mix_beta_1 = Parameter(
+            name='mix_beta_1',
+            description='Ratio of Gaussian to Lorentzian contributions',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.mix_beta_1']),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def broad_gauss_sigma_0(self) -> Parameter:
+        """
+        Gaussian broadening (instrumental resolution) (µs²).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_gauss_sigma_0
+
+    @broad_gauss_sigma_0.setter
+    def broad_gauss_sigma_0(self, value: float) -> None:
+        self._broad_gauss_sigma_0.value = value
+
+    @property
+    def broad_gauss_sigma_1(self) -> Parameter:
+        """
+        Gaussian broadening (dependent on d-spacing) (µs/Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_gauss_sigma_1
+
+    @broad_gauss_sigma_1.setter
+    def broad_gauss_sigma_1(self, value: float) -> None:
+        self._broad_gauss_sigma_1.value = value
+
+    @property
+    def broad_gauss_sigma_2(self) -> Parameter:
+        """
+        Gaussian broadening (instrument-dependent term) (µs²/Ų).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_gauss_sigma_2
+
+    @broad_gauss_sigma_2.setter
+    def broad_gauss_sigma_2(self, value: float) -> None:
+        self._broad_gauss_sigma_2.value = value
+
+    @property
+    def broad_lorentz_gamma_0(self) -> Parameter:
+        """
+        Lorentzian broadening (microstrain effects) (µs).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_lorentz_gamma_0
+
+    @broad_lorentz_gamma_0.setter
+    def broad_lorentz_gamma_0(self, value: float) -> None:
+        self._broad_lorentz_gamma_0.value = value
+
+    @property
+    def broad_lorentz_gamma_1(self) -> Parameter:
+        """
+        Lorentzian broadening (dependent on d-spacing) (µs/Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_lorentz_gamma_1
+
+    @broad_lorentz_gamma_1.setter
+    def broad_lorentz_gamma_1(self, value: float) -> None:
+        self._broad_lorentz_gamma_1.value = value
+
+    @property
+    def broad_lorentz_gamma_2(self) -> Parameter:
+        """
+        Lorentzian broadening (instrument-dependent term) (µs²/Ų).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_lorentz_gamma_2
+
+    @broad_lorentz_gamma_2.setter
+    def broad_lorentz_gamma_2(self, value: float) -> None:
+        self._broad_lorentz_gamma_2.value = value
+
+    @property
+    def broad_mix_beta_0(self) -> Parameter:
+        """
+        Ratio of Gaussian to Lorentzian contributions (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_mix_beta_0
+
+    @broad_mix_beta_0.setter
+    def broad_mix_beta_0(self, value: float) -> None:
+        self._broad_mix_beta_0.value = value
+
+    @property
+    def broad_mix_beta_1(self) -> Parameter:
+        """
+        Ratio of Gaussian to Lorentzian contributions (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_mix_beta_1
+
+    @broad_mix_beta_1.setter
+    def broad_mix_beta_1(self, value: float) -> None:
+        self._broad_mix_beta_1.value = value
+
+
+class IkedaCarpenterAsymmetryMixin:
+    """Ikeda–Carpenter asymmetry parameters."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._asym_alpha_0 = Parameter(
+            name='asym_alpha_0',
+            description='Ikeda-Carpenter asymmetry parameter α₀',
+            units='',  # TODO
+            value_spec=AttributeSpec(
+                default=0.01,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_alpha_0']),
+        )
+        self._asym_alpha_1 = Parameter(
+            name='asym_alpha_1',
+            description='Ikeda-Carpenter asymmetry parameter α₁',
+            units='',  # TODO
+            value_spec=AttributeSpec(
+                default=0.02,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.asym_alpha_1']),
+        )
+
+    @property
+    def asym_alpha_0(self) -> Parameter:
+        """
+        Ikeda-Carpenter asymmetry parameter α₀.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_alpha_0
+
+    @asym_alpha_0.setter
+    def asym_alpha_0(self, value: float) -> None:
+        self._asym_alpha_0.value = value
+
+    @property
+    def asym_alpha_1(self) -> Parameter:
+        """
+        Ikeda-Carpenter asymmetry parameter α₁.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._asym_alpha_1
+
+    @asym_alpha_1.setter
+    def asym_alpha_1(self, value: float) -> None:
+        self._asym_alpha_1.value = value
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/total.py b/src/easydiffraction/datablocks/experiment/categories/peak/total.py
new file mode 100644
index 00000000..61d5e6fd
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/total.py
@@ -0,0 +1,36 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Total-scattering (PDF) peak profile classes."""
+
+from easydiffraction.core.metadata import CalculatorSupport
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.categories.peak.base import PeakBase
+from easydiffraction.datablocks.experiment.categories.peak.factory import PeakFactory
+from easydiffraction.datablocks.experiment.categories.peak.total_mixins import TotalBroadeningMixin
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import CalculatorEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+
+@PeakFactory.register
+class TotalGaussianDampedSinc(
+    PeakBase,
+    TotalBroadeningMixin,
+):
+    """Gaussian-damped sinc peak for total scattering (PDF)."""
+
+    type_info = TypeInfo(
+        tag='gaussian-damped-sinc',
+        description='Gaussian-damped sinc for pair distribution function analysis',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.TOTAL}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+    calculator_support = CalculatorSupport(
+        calculators=frozenset({CalculatorEnum.PDFFIT}),
+    )
+
+    def __init__(self) -> None:
+        super().__init__()
diff --git a/src/easydiffraction/datablocks/experiment/categories/peak/total_mixins.py b/src/easydiffraction/datablocks/experiment/categories/peak/total_mixins.py
new file mode 100644
index 00000000..bae2c974
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/categories/peak/total_mixins.py
@@ -0,0 +1,170 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Total scattering / PDF peak-profile component classes.
+
+This module provides classes that add broadening and asymmetry
+parameters. They are composed into concrete peak classes elsewhere via
+multiple inheritance.
+"""
+
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class TotalBroadeningMixin:
+    """PDF broadening/damping/sharpening parameters."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._damp_q = Parameter(
+            name='damp_q',
+            description='Q-resolution damping for high-r PDF peak amplitude',
+            units='Å⁻¹',
+            value_spec=AttributeSpec(
+                default=0.05,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.damp_q']),
+        )
+        self._broad_q = Parameter(
+            name='broad_q',
+            description='Quadratic peak broadening from thermal uncertainty',
+            units='Å⁻²',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.broad_q']),
+        )
+        self._cutoff_q = Parameter(
+            name='cutoff_q',
+            description='Q-value cutoff for Fourier transform',
+            units='Å⁻¹',
+            value_spec=AttributeSpec(
+                default=25.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.cutoff_q']),
+        )
+        self._sharp_delta_1 = Parameter(
+            name='sharp_delta_1',
+            description='Peak sharpening coefficient (1/r dependence)',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.sharp_delta_1']),
+        )
+        self._sharp_delta_2 = Parameter(
+            name='sharp_delta_2',
+            description='Peak sharpening coefficient (1/r² dependence)',
+            units='Ų',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.sharp_delta_2']),
+        )
+        self._damp_particle_diameter = Parameter(
+            name='damp_particle_diameter',
+            description='Particle diameter for spherical envelope damping correction',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_peak.damp_particle_diameter']),
+        )
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def damp_q(self) -> Parameter:
+        """
+        Q-resolution damping for high-r PDF peak amplitude (Å⁻¹).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._damp_q
+
+    @damp_q.setter
+    def damp_q(self, value: float) -> None:
+        self._damp_q.value = value
+
+    @property
+    def broad_q(self) -> Parameter:
+        """
+        Quadratic peak broadening from thermal uncertainty (Å⁻²).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._broad_q
+
+    @broad_q.setter
+    def broad_q(self, value: float) -> None:
+        self._broad_q.value = value
+
+    @property
+    def cutoff_q(self) -> Parameter:
+        """
+        Q-value cutoff for Fourier transform (Å⁻¹).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._cutoff_q
+
+    @cutoff_q.setter
+    def cutoff_q(self, value: float) -> None:
+        self._cutoff_q.value = value
+
+    @property
+    def sharp_delta_1(self) -> Parameter:
+        """
+        PDF peak sharpening coefficient (1/r dependence) (Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._sharp_delta_1
+
+    @sharp_delta_1.setter
+    def sharp_delta_1(self, value: float) -> None:
+        self._sharp_delta_1.value = value
+
+    @property
+    def sharp_delta_2(self) -> Parameter:
+        """
+        PDF peak sharpening coefficient (1/r² dependence) (Ų).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._sharp_delta_2
+
+    @sharp_delta_2.setter
+    def sharp_delta_2(self, value: float) -> None:
+        self._sharp_delta_2.value = value
+
+    @property
+    def damp_particle_diameter(self) -> Parameter:
+        """
+        Particle diameter for spherical envelope damping correction (Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._damp_particle_diameter
+
+    @damp_particle_diameter.setter
+    def damp_particle_diameter(self, value: float) -> None:
+        self._damp_particle_diameter.value = value
diff --git a/src/easydiffraction/datablocks/experiment/collection.py b/src/easydiffraction/datablocks/experiment/collection.py
new file mode 100644
index 00000000..fb30d013
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/collection.py
@@ -0,0 +1,157 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Collection of experiment data blocks."""
+
+from typeguard import typechecked
+
+from easydiffraction.core.datablock import DatablockCollection
+from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+from easydiffraction.datablocks.experiment.item.factory import ExperimentFactory
+from easydiffraction.utils.enums import VerbosityEnum
+from easydiffraction.utils.logging import console
+
+
+class Experiments(DatablockCollection):
+    """
+    Collection of Experiment data blocks.
+
+    Provides convenience constructors for common creation patterns and
+    helper methods for simple presentation of collection contents.
+    """
+
+    def __init__(self) -> None:
+        super().__init__(item_type=ExperimentBase)
+
+    # ------------------------------------------------------------------
+    # Public methods
+    # ------------------------------------------------------------------
+
+    # TODO: Make abstract in DatablockCollection?
+    @typechecked
+    def create(
+        self,
+        *,
+        name: str,
+        sample_form: str | None = None,
+        beam_mode: str | None = None,
+        radiation_probe: str | None = None,
+        scattering_type: str | None = None,
+    ) -> None:
+        """
+        Add an experiment without associating a data file.
+
+        Parameters
+        ----------
+        name : str
+            Experiment identifier.
+        sample_form : str | None, default=None
+            Sample form (e.g. ``'powder'``).
+        beam_mode : str | None, default=None
+            Beam mode (e.g. ``'constant wavelength'``).
+        radiation_probe : str | None, default=None
+            Radiation probe (e.g. ``'neutron'``).
+        scattering_type : str | None, default=None
+            Scattering type (e.g. ``'bragg'``).
+        """
+        experiment = ExperimentFactory.from_scratch(
+            name=name,
+            sample_form=sample_form,
+            beam_mode=beam_mode,
+            radiation_probe=radiation_probe,
+            scattering_type=scattering_type,
+        )
+        self.add(experiment)
+
+    # TODO: Move to DatablockCollection?
+    @typechecked
+    def add_from_cif_str(
+        self,
+        cif_str: str,
+    ) -> None:
+        """
+        Add an experiment from a CIF string.
+
+        Parameters
+        ----------
+        cif_str : str
+            Full CIF document as a string.
+        """
+        experiment = ExperimentFactory.from_cif_str(cif_str)
+        self.add(experiment)
+
+    # TODO: Move to DatablockCollection?
+    @typechecked
+    def add_from_cif_path(
+        self,
+        cif_path: str,
+    ) -> None:
+        """
+        Add an experiment from a CIF file path.
+
+        Parameters
+        ----------
+        cif_path : str
+            Path to a CIF document.
+        """
+        experiment = ExperimentFactory.from_cif_path(cif_path)
+        self.add(experiment)
+
+    @typechecked
+    def add_from_data_path(
+        self,
+        *,
+        name: str,
+        data_path: str,
+        sample_form: str | None = None,
+        beam_mode: str | None = None,
+        radiation_probe: str | None = None,
+        scattering_type: str | None = None,
+        verbosity: str | None = None,
+    ) -> None:
+        """
+        Add an experiment from a data file path.
+
+        Parameters
+        ----------
+        name : str
+            Experiment identifier.
+        data_path : str
+            Path to the measured data file.
+        sample_form : str | None, default=None
+            Sample form (e.g. ``'powder'``).
+        beam_mode : str | None, default=None
+            Beam mode (e.g. ``'constant wavelength'``).
+        radiation_probe : str | None, default=None
+            Radiation probe (e.g. ``'neutron'``).
+        scattering_type : str | None, default=None
+            Scattering type (e.g. ``'bragg'``).
+        verbosity : str | None, default=None
+            Console output verbosity: ``'full'`` for multi-line output,
+            ``'short'`` for a one-line status message, or ``'silent'``
+            for no output. When ``None``, uses ``project.verbosity``.
+        """
+        if verbosity is None and self._parent is not None:
+            verbosity = self._parent.verbosity
+        verb = VerbosityEnum(verbosity) if verbosity is not None else VerbosityEnum.FULL
+        experiment = ExperimentFactory.from_data_path(
+            name=name,
+            data_path=data_path,
+            sample_form=sample_form,
+            beam_mode=beam_mode,
+            radiation_probe=radiation_probe,
+            scattering_type=scattering_type,
+            verbosity=verb,
+        )
+        self.add(experiment)
+
+    # TODO: Move to DatablockCollection?
+    def show_names(self) -> None:
+        """List all experiment names in the collection."""
+        console.paragraph('Defined experiments' + ' 🔬')
+        console.print(self.names)
+
+    # TODO: Move to DatablockCollection?
+    def show_params(self) -> None:
+        """Show parameters of all experiments in the collection."""
+        for experiment in self.values():
+            experiment.show_params()
diff --git a/src/easydiffraction/datablocks/experiment/item/__init__.py b/src/easydiffraction/datablocks/experiment/item/__init__.py
new file mode 100644
index 00000000..35a64fb1
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/item/__init__.py
@@ -0,0 +1,9 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+from easydiffraction.datablocks.experiment.item.base import PdExperimentBase
+from easydiffraction.datablocks.experiment.item.bragg_pd import BraggPdExperiment
+from easydiffraction.datablocks.experiment.item.bragg_sc import CwlScExperiment
+from easydiffraction.datablocks.experiment.item.bragg_sc import TofScExperiment
+from easydiffraction.datablocks.experiment.item.total_pd import TotalPdExperiment
diff --git a/src/easydiffraction/datablocks/experiment/item/base.py b/src/easydiffraction/datablocks/experiment/item/base.py
new file mode 100644
index 00000000..5c426a94
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/item/base.py
@@ -0,0 +1,768 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Base classes for experiment datablock items."""
+
+from __future__ import annotations
+
+from abc import abstractmethod
+from typing import TYPE_CHECKING
+from typing import Any
+from typing import List
+
+from easydiffraction.core.datablock import DatablockItem
+from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+from easydiffraction.datablocks.experiment.categories.diffrn.factory import DiffrnFactory
+from easydiffraction.datablocks.experiment.categories.excluded_regions.factory import (
+    ExcludedRegionsFactory,
+)
+from easydiffraction.datablocks.experiment.categories.extinction.factory import ExtinctionFactory
+from easydiffraction.datablocks.experiment.categories.instrument.factory import InstrumentFactory
+from easydiffraction.datablocks.experiment.categories.linked_crystal.factory import (
+    LinkedCrystalFactory,
+)
+from easydiffraction.datablocks.experiment.categories.linked_phases.factory import (
+    LinkedPhasesFactory,
+)
+from easydiffraction.datablocks.experiment.categories.peak.factory import PeakFactory
+from easydiffraction.io.cif.serialize import experiment_to_cif
+from easydiffraction.utils.logging import console
+from easydiffraction.utils.logging import log
+from easydiffraction.utils.utils import render_cif
+
+if TYPE_CHECKING:
+    from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+    from easydiffraction.datablocks.structure.collection import Structures
+
+
+class ExperimentBase(DatablockItem):
+    """Base class for all experiment datablock items."""
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__()
+        self._name = name
+        self._type = type
+        self._calculator = None
+        self._calculator_type: str | None = None
+        self._identity.datablock_entry_name = lambda: self.name
+
+        self._diffrn_type: str = DiffrnFactory.default_tag()
+        self._diffrn = DiffrnFactory.create(self._diffrn_type)
+
+    @property
+    def name(self) -> str:
+        """Human-readable name of the experiment."""
+        return self._name
+
+    @name.setter
+    def name(self, new: str) -> None:
+        """
+        Rename the experiment.
+
+        Parameters
+        ----------
+        new : str
+            New name for this experiment.
+        """
+        self._name = new
+
+    @property
+    def type(self) -> object:  # TODO: Consider another name
+        """Experiment type: sample form, probe, beam mode."""
+        return self._type
+
+    # ------------------------------------------------------------------
+    #  Diffrn conditions (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def diffrn(self) -> object:
+        """Ambient conditions recorded during measurement."""
+        return self._diffrn
+
+    @property
+    def diffrn_type(self) -> str:
+        """Tag of the active diffraction conditions type."""
+        return self._diffrn_type
+
+    @diffrn_type.setter
+    def diffrn_type(self, new_type: str) -> None:
+        """
+        Switch to a different diffraction conditions type.
+
+        Parameters
+        ----------
+        new_type : str
+            Diffrn conditions tag (e.g. ``'default'``).
+        """
+        supported_tags = DiffrnFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported diffrn type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_diffrn_types()'",
+            )
+            return
+
+        self._diffrn = DiffrnFactory.create(new_type)
+        self._diffrn_type = new_type
+        console.paragraph(f"Diffrn type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_diffrn_types(self) -> None:
+        """Print a table of supported diffraction conditions types."""
+        DiffrnFactory.show_supported()
+
+    def show_current_diffrn_type(self) -> None:
+        """Print the currently used diffraction conditions type."""
+        console.paragraph('Current diffrn type')
+        console.print(self.diffrn_type)
+
+    @property
+    def as_cif(self) -> str:
+        """Serialize this experiment to a CIF fragment."""
+        return experiment_to_cif(self)
+
+    def show_as_cif(self) -> None:
+        """Pretty-print the experiment as CIF text."""
+        experiment_cif = super().as_cif
+        paragraph_title: str = f"Experiment 🔬 '{self.name}' as cif"
+        console.paragraph(paragraph_title)
+        render_cif(experiment_cif)
+
+    @abstractmethod
+    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
+        """
+        Load ASCII data from file into the experiment data category.
+
+        Parameters
+        ----------
+        data_path : str
+            Path to the ASCII file to load.
+
+        Raises
+        ------
+        NotImplementedError
+            Subclasses must implement this method.
+        """
+        raise NotImplementedError()
+
+    # ------------------------------------------------------------------
+    #  Calculator (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def calculator(self) -> object:
+        """
+        The active calculator instance for this experiment.
+
+        Auto-resolved on first access from the experiment's data
+        category ``calculator_support`` and
+        ``CalculatorFactory._default_rules``.
+        """
+        if self._calculator is None:
+            self._resolve_calculator()
+        return self._calculator
+
+    @property
+    def calculator_type(self) -> str:
+        """Tag of the active calculator backend (e.g. ``'cryspy'``)."""
+        if self._calculator_type is None:
+            self._resolve_calculator()
+        return self._calculator_type
+
+    @calculator_type.setter
+    def calculator_type(self, tag: str) -> None:
+        """
+        Switch to a different calculator backend.
+
+        Parameters
+        ----------
+        tag : str
+            Calculator tag (e.g. ``'cryspy'``, ``'crysfml'``,
+            ``'pdffit'``).
+        """
+        from easydiffraction.analysis.calculators.factory import CalculatorFactory
+
+        supported = self._supported_calculator_tags()
+        if tag not in supported:
+            log.warning(
+                f"Unsupported calculator '{tag}' for experiment "
+                f"'{self.name}'. Supported: {supported}. "
+                f"For more information, use 'show_supported_calculator_types()'",
+            )
+            return
+        self._calculator = CalculatorFactory.create(tag)
+        self._calculator_type = tag
+        console.paragraph(f"Calculator for experiment '{self.name}' changed to")
+        console.print(tag)
+
+    def show_supported_calculator_types(self) -> None:
+        """Print a table of supported calculator backends."""
+        from easydiffraction.analysis.calculators.factory import CalculatorFactory
+
+        supported_tags = self._supported_calculator_tags()
+        all_classes = CalculatorFactory._supported_map()
+        columns_headers = ['Type', 'Description']
+        columns_alignment = ['left', 'left']
+        columns_data = [
+            [cls.type_info.tag, cls.type_info.description]
+            for tag, cls in all_classes.items()
+            if tag in supported_tags
+        ]
+        from easydiffraction.utils.utils import render_table
+
+        console.paragraph('Supported calculator types')
+        render_table(
+            columns_headers=columns_headers,
+            columns_alignment=columns_alignment,
+            columns_data=columns_data,
+        )
+
+    def show_current_calculator_type(self) -> None:
+        """Print the name of the currently active calculator."""
+        console.paragraph('Current calculator type')
+        console.print(self.calculator_type)
+
+    def _resolve_calculator(self) -> None:
+        """Auto-resolve the default calculator from data category."""
+        from easydiffraction.analysis.calculators.factory import CalculatorFactory
+
+        tag = CalculatorFactory.default_tag(
+            scattering_type=self.type.scattering_type.value,
+        )
+        supported = self._supported_calculator_tags()
+        if supported and tag not in supported:
+            tag = supported[0]
+        self._calculator = CalculatorFactory.create(tag)
+        self._calculator_type = tag
+
+    def _supported_calculator_tags(self) -> list[str]:
+        """
+        Return calculator tags supported by this experiment.
+
+        Intersects the data category's ``calculator_support`` with
+        calculators whose engines are importable.
+        """
+        from easydiffraction.analysis.calculators.factory import CalculatorFactory
+
+        available = CalculatorFactory.supported_tags()
+        data = getattr(self, '_data', None)
+        if data is not None:
+            data_support = getattr(data, 'calculator_support', None)
+            if data_support and data_support.calculators:
+                return [t for t in available if t in data_support.calculators]
+        return available
+
+
+class ScExperimentBase(ExperimentBase):
+    """Base class for all single crystal experiments."""
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+        self._extinction_type: str = ExtinctionFactory.default_tag()
+        self._extinction = ExtinctionFactory.create(self._extinction_type)
+        self._linked_crystal_type: str = LinkedCrystalFactory.default_tag()
+        self._linked_crystal = LinkedCrystalFactory.create(self._linked_crystal_type)
+        self._instrument_type: str = InstrumentFactory.default_tag(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+        self._instrument = InstrumentFactory.create(self._instrument_type)
+        self._data_type: str = DataFactory.default_tag(
+            sample_form=self.type.sample_form.value,
+            beam_mode=self.type.beam_mode.value,
+            scattering_type=self.type.scattering_type.value,
+        )
+        self._data = DataFactory.create(self._data_type)
+
+    @abstractmethod
+    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
+        """
+        Load single crystal data from an ASCII file.
+
+        Parameters
+        ----------
+        data_path : str
+            Path to data file with columns compatible with the beam
+            mode.
+        """
+        pass
+
+    # ------------------------------------------------------------------
+    #  Extinction (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def extinction(self) -> object:
+        """Active extinction correction model."""
+        return self._extinction
+
+    @property
+    def extinction_type(self) -> str:
+        """Tag of the active extinction correction model."""
+        return self._extinction_type
+
+    @extinction_type.setter
+    def extinction_type(self, new_type: str) -> None:
+        """
+        Switch to a different extinction correction model.
+
+        Parameters
+        ----------
+        new_type : str
+            Extinction tag (e.g. ``'shelx'``).
+        """
+        supported_tags = ExtinctionFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported extinction type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_extinction_types()'",
+            )
+            return
+
+        self._extinction = ExtinctionFactory.create(new_type)
+        self._extinction_type = new_type
+        console.paragraph(f"Extinction type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_extinction_types(self) -> None:
+        """Print a table of supported extinction correction models."""
+        ExtinctionFactory.show_supported()
+
+    def show_current_extinction_type(self) -> None:
+        """Print the currently used extinction correction model."""
+        console.paragraph('Current extinction type')
+        console.print(self.extinction_type)
+
+    # ------------------------------------------------------------------
+    #  Linked crystal (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def linked_crystal(self) -> object:
+        """Linked crystal model for this experiment."""
+        return self._linked_crystal
+
+    @property
+    def linked_crystal_type(self) -> str:
+        """Tag of the active linked-crystal reference type."""
+        return self._linked_crystal_type
+
+    @linked_crystal_type.setter
+    def linked_crystal_type(self, new_type: str) -> None:
+        """
+        Switch to a different linked-crystal reference type.
+
+        Parameters
+        ----------
+        new_type : str
+            Linked-crystal tag (e.g. ``'default'``).
+        """
+        supported_tags = LinkedCrystalFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported linked crystal type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_linked_crystal_types()'",
+            )
+            return
+
+        self._linked_crystal = LinkedCrystalFactory.create(new_type)
+        self._linked_crystal_type = new_type
+        console.paragraph(f"Linked crystal type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_linked_crystal_types(self) -> None:
+        """Print a table of supported linked-crystal reference types."""
+        LinkedCrystalFactory.show_supported()
+
+    def show_current_linked_crystal_type(self) -> None:
+        """Print the currently used linked-crystal reference type."""
+        console.paragraph('Current linked crystal type')
+        console.print(self.linked_crystal_type)
+
+    # ------------------------------------------------------------------
+    #  Instrument (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def instrument(self) -> object:
+        """Active instrument model for this experiment."""
+        return self._instrument
+
+    @property
+    def instrument_type(self) -> str:
+        """Tag of the active instrument type."""
+        return self._instrument_type
+
+    @instrument_type.setter
+    def instrument_type(self, new_type: str) -> None:
+        """
+        Switch to a different instrument type.
+
+        Parameters
+        ----------
+        new_type : str
+            Instrument tag (e.g. ``'cwl-sc'``).
+        """
+        supported = InstrumentFactory.supported_for(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+        supported_tags = [k.type_info.tag for k in supported]
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported instrument type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_instrument_types()'",
+            )
+            return
+        self._instrument = InstrumentFactory.create(new_type)
+        self._instrument_type = new_type
+        console.paragraph(f"Instrument type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_instrument_types(self) -> None:
+        """Print a table of supported instrument types."""
+        InstrumentFactory.show_supported(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+
+    def show_current_instrument_type(self) -> None:
+        """Print the currently used instrument type."""
+        console.paragraph('Current instrument type')
+        console.print(self.instrument_type)
+
+    # ------------------------------------------------------------------
+    #  Data (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def data(self) -> object:
+        """Data collection for this experiment."""
+        return self._data
+
+    @property
+    def data_type(self) -> str:
+        """Tag of the active data collection type."""
+        return self._data_type
+
+    @data_type.setter
+    def data_type(self, new_type: str) -> None:
+        """
+        Switch to a different data collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Data tag (e.g. ``'bragg-sc'``).
+        """
+        supported_tags = DataFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported data type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_data_types()'",
+            )
+            return
+        self._data = DataFactory.create(new_type)
+        self._data_type = new_type
+        console.paragraph(f"Data type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_data_types(self) -> None:
+        """Print a table of supported data collection types."""
+        DataFactory.show_supported()
+
+    def show_current_data_type(self) -> None:
+        """Print the currently used data collection type."""
+        console.paragraph('Current data type')
+        console.print(self.data_type)
+
+
+class PdExperimentBase(ExperimentBase):
+    """Base class for all powder experiments."""
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+        self._linked_phases_type: str = LinkedPhasesFactory.default_tag()
+        self._linked_phases = LinkedPhasesFactory.create(self._linked_phases_type)
+        self._excluded_regions_type: str = ExcludedRegionsFactory.default_tag()
+        self._excluded_regions = ExcludedRegionsFactory.create(self._excluded_regions_type)
+        self._peak_profile_type: str = PeakFactory.default_tag(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+        )
+        self._data_type: str = DataFactory.default_tag(
+            sample_form=self.type.sample_form.value,
+            beam_mode=self.type.beam_mode.value,
+            scattering_type=self.type.scattering_type.value,
+        )
+        self._data = DataFactory.create(self._data_type)
+        self._peak = PeakFactory.create(self._peak_profile_type)
+
+    def _get_valid_linked_phases(
+        self,
+        structures: Structures,
+    ) -> List[Any]:
+        """
+        Get valid linked phases for this experiment.
+
+        Parameters
+        ----------
+        structures : Structures
+            Collection of structures.
+
+        Returns
+        -------
+        List[Any]
+            A list of valid linked phases.
+        """
+        if not self.linked_phases:
+            print('Warning: No linked phases defined. Returning empty pattern.')
+            return []
+
+        valid_linked_phases = []
+        for linked_phase in self.linked_phases:
+            if linked_phase._identity.category_entry_name not in structures.names:
+                print(
+                    f"Warning: Linked phase '{linked_phase.id.value}' not "
+                    f'found in Structures {structures.names}. Skipping it.'
+                )
+                continue
+            valid_linked_phases.append(linked_phase)
+
+        if not valid_linked_phases:
+            print(
+                'Warning: None of the linked phases found in Structures. Returning empty pattern.'
+            )
+
+        return valid_linked_phases
+
+    @abstractmethod
+    def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+        """
+        Load powder diffraction data from an ASCII file.
+
+        Parameters
+        ----------
+        data_path : str
+            Path to data file with columns compatible with the beam mode
+            (e.g. 2θ/I/σ for CWL, TOF/I/σ for TOF).
+
+        Returns
+        -------
+        int
+            Number of loaded data points.
+        """
+        pass
+
+    @property
+    def linked_phases(self) -> object:
+        """Collection of phases linked to this experiment."""
+        return self._linked_phases
+
+    @property
+    def linked_phases_type(self) -> str:
+        """Tag of the active linked-phases collection type."""
+        return self._linked_phases_type
+
+    @linked_phases_type.setter
+    def linked_phases_type(self, new_type: str) -> None:
+        """
+        Switch to a different linked-phases collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Linked-phases tag (e.g. ``'default'``).
+        """
+        supported_tags = LinkedPhasesFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported linked phases type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_linked_phases_types()'",
+            )
+            return
+
+        self._linked_phases = LinkedPhasesFactory.create(new_type)
+        self._linked_phases_type = new_type
+        console.paragraph(f"Linked phases type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_linked_phases_types(self) -> None:
+        """Print a table of supported linked-phases collection types."""
+        LinkedPhasesFactory.show_supported()
+
+    def show_current_linked_phases_type(self) -> None:
+        """Print the currently used linked-phases collection type."""
+        console.paragraph('Current linked phases type')
+        console.print(self.linked_phases_type)
+
+    @property
+    def excluded_regions(self) -> object:
+        """Collection of excluded regions for the x-grid."""
+        return self._excluded_regions
+
+    @property
+    def excluded_regions_type(self) -> str:
+        """Tag of the active excluded-regions collection type."""
+        return self._excluded_regions_type
+
+    @excluded_regions_type.setter
+    def excluded_regions_type(self, new_type: str) -> None:
+        """
+        Switch to a different excluded-regions collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Excluded-regions tag (e.g. ``'default'``).
+        """
+        supported_tags = ExcludedRegionsFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported excluded regions type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_excluded_regions_types()'",
+            )
+            return
+
+        self._excluded_regions = ExcludedRegionsFactory.create(new_type)
+        self._excluded_regions_type = new_type
+        console.paragraph(f"Excluded regions type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_excluded_regions_types(self) -> None:
+        """Print a table of supported excluded-regions types."""
+        ExcludedRegionsFactory.show_supported()
+
+    def show_current_excluded_regions_type(self) -> None:
+        """Print the currently used excluded-regions collection type."""
+        console.paragraph('Current excluded regions type')
+        console.print(self.excluded_regions_type)
+
+    # ------------------------------------------------------------------
+    #  Data (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def data(self) -> object:
+        """Data collection for this experiment."""
+        return self._data
+
+    @property
+    def data_type(self) -> str:
+        """Tag of the active data collection type."""
+        return self._data_type
+
+    @data_type.setter
+    def data_type(self, new_type: str) -> None:
+        """
+        Switch to a different data collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Data tag (e.g. ``'bragg-pd-cwl'``).
+        """
+        supported_tags = DataFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported data type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_data_types()'",
+            )
+            return
+        self._data = DataFactory.create(new_type)
+        self._data_type = new_type
+        console.paragraph(f"Data type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_data_types(self) -> None:
+        """Print a table of supported data collection types."""
+        DataFactory.show_supported()
+
+    def show_current_data_type(self) -> None:
+        """Print the currently used data collection type."""
+        console.paragraph('Current data type')
+        console.print(self.data_type)
+
+    @property
+    def peak(self) -> object:
+        """Peak category object with profile parameters and mixins."""
+        return self._peak
+
+    @property
+    def peak_profile_type(self) -> object:
+        """Currently selected peak profile type enum."""
+        return self._peak_profile_type
+
+    @peak_profile_type.setter
+    def peak_profile_type(self, new_type: str) -> None:
+        """
+        Change the active peak profile type, if supported.
+
+        Parameters
+        ----------
+        new_type : str
+            New profile type as tag string.
+        """
+        supported = PeakFactory.supported_for(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+        )
+        supported_tags = [k.type_info.tag for k in supported]
+
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported peak profile '{new_type}'. "
+                f'Supported peak profiles: {supported_tags}. '
+                f"For more information, use 'show_supported_peak_profile_types()'",
+            )
+            return
+
+        if self._peak is not None:
+            log.warning(
+                'Switching peak profile type discards existing peak parameters.',
+            )
+
+        self._peak = PeakFactory.create(new_type)
+        self._peak_profile_type = new_type
+        console.paragraph(f"Peak profile type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_peak_profile_types(self) -> None:
+        """Print available peak profile types for this experiment."""
+        PeakFactory.show_supported(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+        )
+
+    def show_current_peak_profile_type(self) -> None:
+        """Print the currently selected peak profile type."""
+        console.paragraph('Current peak profile type')
+        console.print(self.peak_profile_type)
diff --git a/src/easydiffraction/datablocks/experiment/item/bragg_pd.py b/src/easydiffraction/datablocks/experiment/item/bragg_pd.py
new file mode 100644
index 00000000..6da9ffe7
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/item/bragg_pd.py
@@ -0,0 +1,219 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from __future__ import annotations
+
+from typing import TYPE_CHECKING
+
+import numpy as np
+
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.categories.background.factory import BackgroundFactory
+from easydiffraction.datablocks.experiment.categories.instrument.factory import InstrumentFactory
+from easydiffraction.datablocks.experiment.item.base import PdExperimentBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.datablocks.experiment.item.factory import ExperimentFactory
+from easydiffraction.io.ascii import load_numeric_block
+from easydiffraction.utils.logging import console
+from easydiffraction.utils.logging import log
+
+if TYPE_CHECKING:
+    from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+
+
+@ExperimentFactory.register
+class BraggPdExperiment(PdExperimentBase):
+    """Standard Bragg powder diffraction experiment."""
+
+    type_info = TypeInfo(
+        tag='bragg-pd',
+        description='Bragg powder diffraction experiment',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+        self._instrument_type: str = InstrumentFactory.default_tag(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+        self._instrument = InstrumentFactory.create(self._instrument_type)
+        self._background_type: str = BackgroundFactory.default_tag()
+        self._background = BackgroundFactory.create(self._background_type)
+
+    def _load_ascii_data_to_experiment(
+        self,
+        data_path: str,
+    ) -> int:
+        """
+        Load (x, y, sy) data from an ASCII file into the data category.
+
+        The file format is space/column separated with 2 or 3 columns:
+        ``x y [sy]``. If ``sy`` is missing, it is approximated as
+        ``sqrt(y)``.
+
+        If ``sy`` has values smaller than ``0.0001``, they are replaced
+        with ``1.0``.
+
+        Parameters
+        ----------
+        data_path : str
+            Path to the ASCII data file.
+
+        Returns
+        -------
+        int
+            Number of loaded data points.
+        """
+        data = load_numeric_block(data_path)
+
+        if data.shape[1] < 2:
+            log.error(
+                'Data file must have at least two columns: x and y.',
+                exc_type=ValueError,
+            )
+            return 0
+
+        if data.shape[1] < 3:
+            log.warning('No uncertainty (sy) column provided. Defaulting to sqrt(y).')
+
+        # Extract x, y data
+        x: np.ndarray = data[:, 0]
+        y: np.ndarray = data[:, 1]
+
+        # Round x to 4 decimal places
+        x = np.round(x, 4)
+
+        # Determine sy from column 3 if available, otherwise use sqrt(y)
+        sy: np.ndarray = data[:, 2] if data.shape[1] > 2 else np.sqrt(y)
+
+        # Replace values smaller than 0.0001 with 1.0
+        # TODO: Not used if loading from cif file?
+        sy = np.where(sy < 0.0001, 1.0, sy)
+
+        # Set the experiment data
+        self.data._create_items_set_xcoord_and_id(x)
+        self.data._set_intensity_meas(y)
+        self.data._set_intensity_meas_su(sy)
+
+        return len(x)
+
+    # ------------------------------------------------------------------
+    #  Instrument (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def instrument(self) -> object:
+        """Active instrument model for this experiment."""
+        return self._instrument
+
+    @property
+    def instrument_type(self) -> str:
+        """Tag of the active instrument type."""
+        return self._instrument_type
+
+    @instrument_type.setter
+    def instrument_type(self, new_type: str) -> None:
+        """
+        Switch to a different instrument type.
+
+        Parameters
+        ----------
+        new_type : str
+            Instrument tag (e.g. ``'cwl-pd'``).
+        """
+        supported = InstrumentFactory.supported_for(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+        supported_tags = [k.type_info.tag for k in supported]
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported instrument type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_instrument_types()'",
+            )
+            return
+        self._instrument = InstrumentFactory.create(new_type)
+        self._instrument_type = new_type
+        console.paragraph(f"Instrument type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_instrument_types(self) -> None:
+        """Print a table of supported instrument types."""
+        InstrumentFactory.show_supported(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+
+    def show_current_instrument_type(self) -> None:
+        """Print the currently used instrument type."""
+        console.paragraph('Current instrument type')
+        console.print(self.instrument_type)
+
+    # ------------------------------------------------------------------
+    #  Background (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def background_type(self) -> object:
+        """Current background type enum value."""
+        return self._background_type
+
+    @background_type.setter
+    def background_type(self, new_type: str) -> None:
+        """Set a new background type and recreate background object."""
+        if self._background_type == new_type:
+            console.paragraph(f"Background type for experiment '{self.name}' already set to")
+            console.print(new_type)
+            return
+
+        supported_tags = BackgroundFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported background type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_background_types()'",
+            )
+            return
+
+        if len(self._background) > 0:
+            log.warning(
+                f'Switching background type discards {len(self._background)} '
+                f'existing background point(s).',
+            )
+
+        self._background = BackgroundFactory.create(new_type)
+        self._background_type = new_type
+        console.paragraph(f"Background type for experiment '{self.name}' changed to")
+        console.print(new_type)
+
+    @property
+    def background(self) -> object:
+        """Active background model for this experiment."""
+        return self._background
+
+    def show_supported_background_types(self) -> None:
+        """Print a table of supported background types."""
+        BackgroundFactory.show_supported()
+
+    def show_current_background_type(self) -> None:
+        """Print the currently used background type."""
+        console.paragraph('Current background type')
+        console.print(self.background_type)
diff --git a/src/easydiffraction/datablocks/experiment/item/bragg_sc.py b/src/easydiffraction/datablocks/experiment/item/bragg_sc.py
new file mode 100644
index 00000000..f77d3af6
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/item/bragg_sc.py
@@ -0,0 +1,162 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from __future__ import annotations
+
+from typing import TYPE_CHECKING
+
+import numpy as np
+
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.item.base import ScExperimentBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.datablocks.experiment.item.factory import ExperimentFactory
+from easydiffraction.io.ascii import load_numeric_block
+from easydiffraction.utils.logging import log
+
+if TYPE_CHECKING:
+    from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+
+
+@ExperimentFactory.register
+class CwlScExperiment(ScExperimentBase):
+    """Bragg constant-wavelength single-crystal experiment."""
+
+    type_info = TypeInfo(
+        tag='bragg-sc-cwl',
+        description='Bragg CWL single-crystal experiment',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH}),
+    )
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+    def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+        """
+        Load measured data from an ASCII file into the data category.
+
+        The file format is space/column separated with 5 columns: ``h k
+        l Iobs sIobs``.
+
+        Parameters
+        ----------
+        data_path : str
+            Path to the ASCII data file.
+
+        Returns
+        -------
+        int
+            Number of loaded data points.
+        """
+        data = load_numeric_block(data_path)
+
+        if data.shape[1] < 5:
+            log.error(
+                'Data file must have at least 5 columns: h, k, l, Iobs, sIobs.',
+                exc_type=ValueError,
+            )
+            return 0
+
+        # Extract Miller indices h, k, l
+        indices_h: np.ndarray = data[:, 0].astype(int)
+        indices_k: np.ndarray = data[:, 1].astype(int)
+        indices_l: np.ndarray = data[:, 2].astype(int)
+
+        # Extract intensities and their standard uncertainties
+        integrated_intensities: np.ndarray = data[:, 3]
+        integrated_intensities_su: np.ndarray = data[:, 4]
+
+        # Set the experiment data
+        self.data._create_items_set_hkl_and_id(indices_h, indices_k, indices_l)
+        self.data._set_intensity_meas(integrated_intensities)
+        self.data._set_intensity_meas_su(integrated_intensities_su)
+
+        return len(indices_h)
+
+
+@ExperimentFactory.register
+class TofScExperiment(ScExperimentBase):
+    """Bragg time-of-flight single-crystal experiment."""
+
+    type_info = TypeInfo(
+        tag='bragg-sc-tof',
+        description='Bragg TOF single-crystal experiment',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.BRAGG}),
+        sample_form=frozenset({SampleFormEnum.SINGLE_CRYSTAL}),
+        beam_mode=frozenset({BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+    def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+        """
+        Load measured data from an ASCII file into the data category.
+
+        The file format is space/column separated with 6 columns: ``h k
+        l Iobs sIobs wavelength``.
+
+        Parameters
+        ----------
+        data_path : str
+            Path to the ASCII data file.
+
+        Returns
+        -------
+        int
+            Number of loaded data points.
+        """
+        try:
+            data = load_numeric_block(data_path)
+        except IOError as e:
+            log.error(
+                f'Failed to read data from {data_path}: {e}',
+                exc_type=IOError,
+            )
+            return 0
+
+        if data.shape[1] < 6:
+            log.error(
+                'Data file must have at least 6 columns: h, k, l, Iobs, sIobs, wavelength.',
+                exc_type=ValueError,
+            )
+            return 0
+
+        # Extract Miller indices h, k, l
+        indices_h: np.ndarray = data[:, 0].astype(int)
+        indices_k: np.ndarray = data[:, 1].astype(int)
+        indices_l: np.ndarray = data[:, 2].astype(int)
+
+        # Extract intensities and their standard uncertainties
+        integrated_intensities: np.ndarray = data[:, 3]
+        integrated_intensities_su: np.ndarray = data[:, 4]
+
+        # Extract wavelength values
+        wavelength: np.ndarray = data[:, 5]
+
+        # Set the experiment data
+        self.data._create_items_set_hkl_and_id(indices_h, indices_k, indices_l)
+        self.data._set_intensity_meas(integrated_intensities)
+        self.data._set_intensity_meas_su(integrated_intensities_su)
+        self.data._set_wavelength(wavelength)
+
+        return len(indices_h)
diff --git a/src/easydiffraction/experiments/experiment/enums.py b/src/easydiffraction/datablocks/experiment/item/enums.py
similarity index 59%
rename from src/easydiffraction/experiments/experiment/enums.py
rename to src/easydiffraction/datablocks/experiment/item/enums.py
index b15220fe..2375c38e 100644
--- a/src/easydiffraction/experiments/experiment/enums.py
+++ b/src/easydiffraction/datablocks/experiment/item/enums.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Enumerations for experiment configuration (forms, modes, types)."""
 
@@ -13,9 +13,25 @@ class SampleFormEnum(str, Enum):
 
     @classmethod
     def default(cls) -> 'SampleFormEnum':
+        """
+        Return the default sample form (POWDER).
+
+        Returns
+        -------
+        'SampleFormEnum'
+            The default enum member.
+        """
         return cls.POWDER
 
     def description(self) -> str:
+        """
+        Return a human-readable description of this sample form.
+
+        Returns
+        -------
+        str
+            Description string for the current enum member.
+        """
         if self is SampleFormEnum.POWDER:
             return 'Powdered or polycrystalline sample.'
         elif self is SampleFormEnum.SINGLE_CRYSTAL:
@@ -30,9 +46,25 @@ class ScatteringTypeEnum(str, Enum):
 
     @classmethod
     def default(cls) -> 'ScatteringTypeEnum':
+        """
+        Return the default scattering type (BRAGG).
+
+        Returns
+        -------
+        'ScatteringTypeEnum'
+            The default enum member.
+        """
         return cls.BRAGG
 
     def description(self) -> str:
+        """
+        Return a human-readable description of this scattering type.
+
+        Returns
+        -------
+        str
+            Description string for the current enum member.
+        """
         if self is ScatteringTypeEnum.BRAGG:
             return 'Bragg diffraction for conventional structure refinement.'
         elif self is ScatteringTypeEnum.TOTAL:
@@ -47,9 +79,25 @@ class RadiationProbeEnum(str, Enum):
 
     @classmethod
     def default(cls) -> 'RadiationProbeEnum':
+        """
+        Return the default radiation probe (NEUTRON).
+
+        Returns
+        -------
+        'RadiationProbeEnum'
+            The default enum member.
+        """
         return cls.NEUTRON
 
     def description(self) -> str:
+        """
+        Return a human-readable description of this radiation probe.
+
+        Returns
+        -------
+        str
+            Description string for the current enum member.
+        """
         if self is RadiationProbeEnum.NEUTRON:
             return 'Neutron diffraction.'
         elif self is RadiationProbeEnum.XRAY:
@@ -65,15 +113,45 @@ class BeamModeEnum(str, Enum):
 
     @classmethod
     def default(cls) -> 'BeamModeEnum':
+        """
+        Return the default beam mode (CONSTANT_WAVELENGTH).
+
+        Returns
+        -------
+        'BeamModeEnum'
+            The default enum member.
+        """
         return cls.CONSTANT_WAVELENGTH
 
     def description(self) -> str:
+        """
+        Return a human-readable description of this beam mode.
+
+        Returns
+        -------
+        str
+            Description string for the current enum member.
+        """
         if self is BeamModeEnum.CONSTANT_WAVELENGTH:
             return 'Constant wavelength (CW) diffraction.'
         elif self is BeamModeEnum.TIME_OF_FLIGHT:
             return 'Time-of-flight (TOF) diffraction.'
 
 
+class CalculatorEnum(str, Enum):
+    """Known calculation engine identifiers."""
+
+    CRYSPY = 'cryspy'
+    CRYSFML = 'crysfml'
+    PDFFIT = 'pdffit'
+
+
+# TODO: Can, instead of hardcoding here, this info be auto-extracted
+#  from the actual peak profile classes defined in peak/cwl.py, tof.py,
+#  total.py? So that their Enum variable, string representation and
+#  description are defined in the respective classes?
+# TODO: Can supported values be defined based on the structure of peak/?
+# TODO: Can the same be reused for other enums in this file?
 class PeakProfileTypeEnum(str, Enum):
     """Available peak profile types per scattering and beam mode."""
 
@@ -90,6 +168,23 @@ def default(
         scattering_type: ScatteringTypeEnum | None = None,
         beam_mode: BeamModeEnum | None = None,
     ) -> 'PeakProfileTypeEnum':
+        """
+        Return the default peak profile type for a given mode.
+
+        Parameters
+        ----------
+        scattering_type : ScatteringTypeEnum | None, default=None
+            Scattering type; defaults to
+            ``ScatteringTypeEnum.default()`` when ``None``.
+        beam_mode : BeamModeEnum | None, default=None
+            Beam mode; defaults to ``BeamModeEnum.default()`` when
+            ``None``.
+
+        Returns
+        -------
+        'PeakProfileTypeEnum'
+            The default profile type for the given combination.
+        """
         if scattering_type is None:
             scattering_type = ScatteringTypeEnum.default()
         if beam_mode is None:
@@ -105,6 +200,14 @@ def default(
         }[(scattering_type, beam_mode)]
 
     def description(self) -> str:
+        """
+        Return a human-readable description of this peak profile type.
+
+        Returns
+        -------
+        str
+            Description string for the current enum member.
+        """
         if self is PeakProfileTypeEnum.PSEUDO_VOIGT:
             return 'Pseudo-Voigt profile'
         elif self is PeakProfileTypeEnum.SPLIT_PSEUDO_VOIGT:
diff --git a/src/easydiffraction/datablocks/experiment/item/factory.py b/src/easydiffraction/datablocks/experiment/item/factory.py
new file mode 100644
index 00000000..5c0b3094
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/item/factory.py
@@ -0,0 +1,277 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Factory for creating experiment instances from various inputs.
+
+Provides individual class methods for each creation pathway:
+``from_cif_path``, ``from_cif_str``, ``from_data_path``, and
+``from_scratch``.
+"""
+
+from __future__ import annotations
+
+from typing import TYPE_CHECKING
+
+from typeguard import typechecked
+
+from easydiffraction.core.factory import FactoryBase
+from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.io.cif.parse import document_from_path
+from easydiffraction.io.cif.parse import document_from_string
+from easydiffraction.io.cif.parse import name_from_block
+from easydiffraction.io.cif.parse import pick_sole_block
+from easydiffraction.utils.enums import VerbosityEnum
+from easydiffraction.utils.logging import console
+from easydiffraction.utils.logging import log
+
+if TYPE_CHECKING:
+    import gemmi
+
+    from easydiffraction.datablocks.experiment.item.base import ExperimentBase
+
+
+class ExperimentFactory(FactoryBase):
+    """Creates Experiment instances with only relevant attributes."""
+
+    _default_rules = {
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('sample_form', SampleFormEnum.POWDER),
+        }): 'bragg-pd',
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.TOTAL),
+            ('sample_form', SampleFormEnum.POWDER),
+        }): 'total-pd',
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('sample_form', SampleFormEnum.SINGLE_CRYSTAL),
+            ('beam_mode', BeamModeEnum.CONSTANT_WAVELENGTH),
+        }): 'bragg-sc-cwl',
+        frozenset({
+            ('scattering_type', ScatteringTypeEnum.BRAGG),
+            ('sample_form', SampleFormEnum.SINGLE_CRYSTAL),
+            ('beam_mode', BeamModeEnum.TIME_OF_FLIGHT),
+        }): 'bragg-sc-tof',
+    }
+
+    # TODO: Add to core/factory.py?
+    def __init__(self) -> None:
+        log.error(
+            'Experiment objects must be created using class methods such as '
+            '`ExperimentFactory.from_cif_str(...)`, etc.'
+        )
+
+    # ------------------------------------------------------------------
+    # Private helper methods
+    # ------------------------------------------------------------------
+
+    @classmethod
+    @typechecked
+    def _create_experiment_type(
+        cls,
+        sample_form: str | None = None,
+        beam_mode: str | None = None,
+        radiation_probe: str | None = None,
+        scattering_type: str | None = None,
+    ) -> ExperimentType:
+        """Construct ExperimentType with defaults for omitted values."""
+        # Note: validation of input values is done via Descriptor setter
+        # methods
+
+        et = ExperimentType()
+
+        if sample_form is not None:
+            et._set_sample_form(sample_form)
+        if beam_mode is not None:
+            et._set_beam_mode(beam_mode)
+        if radiation_probe is not None:
+            et._set_radiation_probe(radiation_probe)
+        if scattering_type is not None:
+            et._set_scattering_type(scattering_type)
+
+        return et
+
+    @classmethod
+    @typechecked
+    def _resolve_class(cls, expt_type: ExperimentType) -> type:
+        """Look up the experiment class from the type enums."""
+        tag = cls.default_tag(
+            scattering_type=expt_type.scattering_type.value,
+            sample_form=expt_type.sample_form.value,
+            beam_mode=expt_type.beam_mode.value,
+        )
+        return cls._supported_map()[tag]
+
+    @classmethod
+    # TODO: @typechecked fails to find gemmi?
+    def _from_gemmi_block(
+        cls,
+        block: gemmi.cif.Block,
+    ) -> ExperimentBase:
+        """Build a model instance from a single CIF block."""
+        name = name_from_block(block)
+
+        expt_type = ExperimentType()
+        for param in expt_type.parameters:
+            param.from_cif(block)
+
+        expt_class = cls._resolve_class(expt_type)
+        expt_obj = expt_class(name=name, type=expt_type)
+
+        for category in expt_obj.categories:
+            category.from_cif(block)
+
+        return expt_obj
+
+    # ------------------------------------------------------------------
+    # Public methods
+    # ------------------------------------------------------------------
+
+    @classmethod
+    @typechecked
+    def from_scratch(
+        cls,
+        *,
+        name: str,
+        sample_form: str | None = None,
+        beam_mode: str | None = None,
+        radiation_probe: str | None = None,
+        scattering_type: str | None = None,
+    ) -> ExperimentBase:
+        """
+        Create an experiment without measured data.
+
+        Parameters
+        ----------
+        name : str
+            Experiment identifier.
+        sample_form : str | None, default=None
+            Sample form (e.g. ``'powder'``).
+        beam_mode : str | None, default=None
+            Beam mode (e.g. ``'constant wavelength'``).
+        radiation_probe : str | None, default=None
+            Radiation probe (e.g. ``'neutron'``).
+        scattering_type : str | None, default=None
+            Scattering type (e.g. ``'bragg'``).
+
+        Returns
+        -------
+        ExperimentBase
+            An experiment instance with only metadata.
+        """
+        expt_type = cls._create_experiment_type(
+            sample_form=sample_form,
+            beam_mode=beam_mode,
+            radiation_probe=radiation_probe,
+            scattering_type=scattering_type,
+        )
+        expt_class = cls._resolve_class(expt_type)
+        expt_obj = expt_class(name=name, type=expt_type)
+        return expt_obj
+
+    # TODO: add minimal default configuration for missing parameters
+    @classmethod
+    @typechecked
+    def from_cif_str(
+        cls,
+        cif_str: str,
+    ) -> ExperimentBase:
+        """
+        Create an experiment from a CIF string.
+
+        Parameters
+        ----------
+        cif_str : str
+            Full CIF document as a string.
+
+        Returns
+        -------
+        ExperimentBase
+            A populated experiment instance.
+        """
+        doc = document_from_string(cif_str)
+        block = pick_sole_block(doc)
+        return cls._from_gemmi_block(block)
+
+    # TODO: Read content and call self.from_cif_str
+    @classmethod
+    @typechecked
+    def from_cif_path(
+        cls,
+        cif_path: str,
+    ) -> ExperimentBase:
+        """
+        Create an experiment from a CIF file path.
+
+        Parameters
+        ----------
+        cif_path : str
+            Path to a CIF file.
+
+        Returns
+        -------
+        ExperimentBase
+            A populated experiment instance.
+        """
+        doc = document_from_path(cif_path)
+        block = pick_sole_block(doc)
+        return cls._from_gemmi_block(block)
+
+    @classmethod
+    @typechecked
+    def from_data_path(
+        cls,
+        *,
+        name: str,
+        data_path: str,
+        sample_form: str | None = None,
+        beam_mode: str | None = None,
+        radiation_probe: str | None = None,
+        scattering_type: str | None = None,
+        verbosity: VerbosityEnum = VerbosityEnum.FULL,
+    ) -> ExperimentBase:
+        """
+        Create an experiment from a raw data ASCII file.
+
+        Parameters
+        ----------
+        name : str
+            Experiment identifier.
+        data_path : str
+            Path to the measured data file.
+        sample_form : str | None, default=None
+            Sample form (e.g. ``'powder'``).
+        beam_mode : str | None, default=None
+            Beam mode (e.g. ``'constant wavelength'``).
+        radiation_probe : str | None, default=None
+            Radiation probe (e.g. ``'neutron'``).
+        scattering_type : str | None, default=None
+            Scattering type (e.g. ``'bragg'``).
+        verbosity : VerbosityEnum, default=VerbosityEnum.FULL
+            Console output verbosity.
+
+        Returns
+        -------
+        ExperimentBase
+            An experiment instance with measured data attached.
+        """
+        expt_obj = cls.from_scratch(
+            name=name,
+            sample_form=sample_form,
+            beam_mode=beam_mode,
+            radiation_probe=radiation_probe,
+            scattering_type=scattering_type,
+        )
+
+        num_points = expt_obj._load_ascii_data_to_experiment(data_path)
+
+        if verbosity is VerbosityEnum.FULL:
+            console.paragraph('Data loaded successfully')
+            console.print(f"Experiment 🔬 '{name}'. Number of data points: {num_points}.")
+        elif verbosity is VerbosityEnum.SHORT:
+            console.print(f"✅ Data loaded: Experiment 🔬 '{name}'. {num_points} points.")
+
+        return expt_obj
diff --git a/src/easydiffraction/datablocks/experiment/item/total_pd.py b/src/easydiffraction/datablocks/experiment/item/total_pd.py
new file mode 100644
index 00000000..2ed856ba
--- /dev/null
+++ b/src/easydiffraction/datablocks/experiment/item/total_pd.py
@@ -0,0 +1,92 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from __future__ import annotations
+
+from typing import TYPE_CHECKING
+
+import numpy as np
+
+from easydiffraction.core.metadata import Compatibility
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.datablocks.experiment.item.base import PdExperimentBase
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.datablocks.experiment.item.factory import ExperimentFactory
+
+if TYPE_CHECKING:
+    from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+
+
+@ExperimentFactory.register
+class TotalPdExperiment(PdExperimentBase):
+    """PDF experiment class with specific attributes."""
+
+    type_info = TypeInfo(
+        tag='total-pd',
+        description='Total scattering (PDF) powder experiment',
+    )
+    compatibility = Compatibility(
+        scattering_type=frozenset({ScatteringTypeEnum.TOTAL}),
+        sample_form=frozenset({SampleFormEnum.POWDER}),
+        beam_mode=frozenset({BeamModeEnum.CONSTANT_WAVELENGTH, BeamModeEnum.TIME_OF_FLIGHT}),
+    )
+
+    def __init__(
+        self,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+    def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+        """
+        Load x, y, sy values from an ASCII file into the experiment.
+
+        The file must be structured as:     x  y  sy
+
+        Parameters
+        ----------
+        data_path : str
+            Path to the ASCII data file.
+
+        Returns
+        -------
+        int
+            Number of loaded data points.
+
+        Raises
+        ------
+        ImportError
+            If the ``diffpy`` package is not installed.
+        IOError
+            If the data file cannot be read.
+        ValueError
+            If the data file has fewer than two columns.
+        """
+        try:
+            from diffpy.utils.parsers.loaddata import loadData
+        except ImportError:
+            raise ImportError('diffpy module not found.') from None
+        try:
+            data = loadData(data_path)
+        except Exception as e:
+            raise IOError(f'Failed to read data from {data_path}: {e}') from e
+
+        if data.shape[1] < 2:
+            raise ValueError('Data file must have at least two columns: x and y.')
+
+        default_sy = 0.03
+        if data.shape[1] < 3:
+            print(f'Warning: No uncertainty (sy) column provided. Defaulting to {default_sy}.')
+
+        x = data[:, 0]
+        y = data[:, 1]
+        sy = data[:, 2] if data.shape[1] > 2 else np.full_like(y, fill_value=default_sy)
+
+        self.data._create_items_set_xcoord_and_id(x)
+        self.data._set_g_r_meas(y)
+        self.data._set_g_r_meas_su(sy)
+
+        return len(x)
diff --git a/src/easydiffraction/datablocks/structure/__init__.py b/src/easydiffraction/datablocks/structure/__init__.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/__init__.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/datablocks/structure/categories/__init__.py b/src/easydiffraction/datablocks/structure/categories/__init__.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/__init__.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/datablocks/structure/categories/atom_sites/__init__.py b/src/easydiffraction/datablocks/structure/categories/atom_sites/__init__.py
new file mode 100644
index 00000000..7bd7b9ad
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/atom_sites/__init__.py
@@ -0,0 +1,5 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.structure.categories.atom_sites.default import AtomSite
+from easydiffraction.datablocks.structure.categories.atom_sites.default import AtomSites
diff --git a/src/easydiffraction/datablocks/structure/categories/atom_sites/default.py b/src/easydiffraction/datablocks/structure/categories/atom_sites/default.py
new file mode 100644
index 00000000..265c3c62
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/atom_sites/default.py
@@ -0,0 +1,380 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Atom site category.
+
+Defines :class:`AtomSite` items and :class:`AtomSites` collection used
+in crystallographic structures.
+"""
+
+from __future__ import annotations
+
+from cryspy.A_functions_base.database import DATABASE
+
+from easydiffraction.core.category import CategoryCollection
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import MembershipValidator
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.validation import RegexValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.crystallography import crystallography as ecr
+from easydiffraction.datablocks.structure.categories.atom_sites.factory import AtomSitesFactory
+from easydiffraction.io.cif.handler import CifHandler
+
+
+class AtomSite(CategoryItem):
+    """
+    Single atom site with fractional coordinates and ADP.
+
+    Attributes are represented by descriptors to support validation and
+    CIF serialization.
+    """
+
+    def __init__(self) -> None:
+        """Initialise the atom site with default descriptor values."""
+        super().__init__()
+
+        self._label = StringDescriptor(
+            name='label',
+            description='Unique identifier for the atom site.',
+            value_spec=AttributeSpec(
+                default='Si',
+                # TODO: the following pattern is valid for dict key
+                #  (keywords are not checked). CIF label is less strict.
+                #  Do we need conversion between CIF and internal label?
+                validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.label']),
+        )
+        self._type_symbol = StringDescriptor(
+            name='type_symbol',
+            description='Chemical symbol of the atom at this site.',
+            value_spec=AttributeSpec(
+                default='Tb',
+                validator=MembershipValidator(allowed=self._type_symbol_allowed_values),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.type_symbol']),
+        )
+        self._fract_x = Parameter(
+            name='fract_x',
+            description='Fractional x-coordinate of the atom site within the unit cell.',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.fract_x']),
+        )
+        self._fract_y = Parameter(
+            name='fract_y',
+            description='Fractional y-coordinate of the atom site within the unit cell.',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.fract_y']),
+        )
+        self._fract_z = Parameter(
+            name='fract_z',
+            description='Fractional z-coordinate of the atom site within the unit cell.',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.fract_z']),
+        )
+        self._wyckoff_letter = StringDescriptor(
+            name='wyckoff_letter',
+            description='Wyckoff letter indicating the symmetry of the '
+            'atom site within the space group.',
+            value_spec=AttributeSpec(
+                default=self._wyckoff_letter_default_value,
+                validator=MembershipValidator(allowed=self._wyckoff_letter_allowed_values),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_atom_site.Wyckoff_letter',
+                    '_atom_site.Wyckoff_symbol',
+                ]
+            ),
+        )
+        self._occupancy = Parameter(
+            name='occupancy',
+            description='Occupancy of the atom site, representing the '
+            'fraction of the site occupied by the atom type.',
+            value_spec=AttributeSpec(
+                default=1.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.occupancy']),
+        )
+        self._b_iso = Parameter(
+            name='b_iso',
+            description='Isotropic atomic displacement parameter (ADP) for the atom site.',
+            units='Ų',
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(ge=0.0),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.B_iso_or_equiv']),
+        )
+        self._adp_type = StringDescriptor(
+            name='adp_type',
+            description='Type of atomic displacement parameter (ADP) '
+            'used (e.g., Biso, Uiso, Uani, Bani).',
+            value_spec=AttributeSpec(
+                default='Biso',
+                validator=MembershipValidator(allowed=['Biso']),
+            ),
+            cif_handler=CifHandler(names=['_atom_site.adp_type']),
+        )
+
+        self._identity.category_code = 'atom_site'
+        self._identity.category_entry_name = lambda: str(self.label.value)
+
+    # ------------------------------------------------------------------
+    #  Private helper methods
+    # ------------------------------------------------------------------
+
+    @property
+    def _type_symbol_allowed_values(self) -> list[str]:
+        """
+        Return chemical symbols accepted by *cryspy*.
+
+        Returns
+        -------
+        list[str]
+            Unique element/isotope symbols from the database.
+        """
+        return list({key[1] for key in DATABASE['Isotopes']})
+
+    @property
+    def _wyckoff_letter_allowed_values(self) -> list[str]:
+        """
+        Return allowed Wyckoff-letter symbols.
+
+        Returns
+        -------
+        list[str]
+            Currently a hard-coded placeholder list.
+        """
+        # TODO: Need to now current space group. How to access it? Via
+        #  parent Cell? Then letters =
+        #  list(SPACE_GROUPS[62, 'cab']['Wyckoff_positions'].keys())
+        #  Temporarily return hardcoded list:
+        return ['a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i']
+
+    @property
+    def _wyckoff_letter_default_value(self) -> str:
+        """
+        Return the default Wyckoff letter.
+
+        Returns
+        -------
+        str
+            First element of the allowed values list.
+        """
+        # TODO: What to pass as default?
+        return self._wyckoff_letter_allowed_values[0]
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def label(self) -> StringDescriptor:
+        """
+        Unique identifier for the atom site.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._label
+
+    @label.setter
+    def label(self, value: str) -> None:
+        self._label.value = value
+
+    @property
+    def type_symbol(self) -> StringDescriptor:
+        """
+        Chemical symbol of the atom at this site.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._type_symbol
+
+    @type_symbol.setter
+    def type_symbol(self, value: str) -> None:
+        self._type_symbol.value = value
+
+    @property
+    def adp_type(self) -> StringDescriptor:
+        """
+        ADP type used (e.g., Biso, Uiso, Uani, Bani).
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._adp_type
+
+    @adp_type.setter
+    def adp_type(self, value: str) -> None:
+        self._adp_type.value = value
+
+    @property
+    def wyckoff_letter(self) -> StringDescriptor:
+        """
+        Wyckoff letter for the atom site symmetry position.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._wyckoff_letter
+
+    @wyckoff_letter.setter
+    def wyckoff_letter(self, value: str) -> None:
+        self._wyckoff_letter.value = value
+
+    @property
+    def fract_x(self) -> Parameter:
+        """
+        Fractional x-coordinate of the atom site within the unit cell.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._fract_x
+
+    @fract_x.setter
+    def fract_x(self, value: float) -> None:
+        self._fract_x.value = value
+
+    @property
+    def fract_y(self) -> Parameter:
+        """
+        Fractional y-coordinate of the atom site within the unit cell.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._fract_y
+
+    @fract_y.setter
+    def fract_y(self, value: float) -> None:
+        self._fract_y.value = value
+
+    @property
+    def fract_z(self) -> Parameter:
+        """
+        Fractional z-coordinate of the atom site within the unit cell.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._fract_z
+
+    @fract_z.setter
+    def fract_z(self, value: float) -> None:
+        self._fract_z.value = value
+
+    @property
+    def occupancy(self) -> Parameter:
+        """
+        Occupancy fraction of the atom type at this site.
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._occupancy
+
+    @occupancy.setter
+    def occupancy(self, value: float) -> None:
+        self._occupancy.value = value
+
+    @property
+    def b_iso(self) -> Parameter:
+        """
+        Isotropic ADP for the atom site (Ų).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._b_iso
+
+    @b_iso.setter
+    def b_iso(self, value: float) -> None:
+        self._b_iso.value = value
+
+
+@AtomSitesFactory.register
+class AtomSites(CategoryCollection):
+    """Collection of :class:`AtomSite` instances."""
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Atom sites collection',
+    )
+
+    def __init__(self) -> None:
+        """Initialise an empty atom-sites collection."""
+        super().__init__(item_type=AtomSite)
+
+    # ------------------------------------------------------------------
+    #  Private helper methods
+    # ------------------------------------------------------------------
+
+    def _apply_atomic_coordinates_symmetry_constraints(self) -> None:
+        """
+        Apply symmetry rules to fractional coordinates of every site.
+
+        Uses the parent structure's space-group symbol, IT coordinate
+        system code and each atom's Wyckoff letter.  Atoms without a
+        Wyckoff letter are silently skipped.
+        """
+        structure = self._parent
+        space_group_name = structure.space_group.name_h_m.value
+        space_group_coord_code = structure.space_group.it_coordinate_system_code.value
+        for atom in self._items:
+            dummy_atom = {
+                'fract_x': atom.fract_x.value,
+                'fract_y': atom.fract_y.value,
+                'fract_z': atom.fract_z.value,
+            }
+            wl = atom.wyckoff_letter.value
+            if not wl:
+                # TODO: Decide how to handle this case
+                continue
+            ecr.apply_atom_site_symmetry_constraints(
+                atom_site=dummy_atom,
+                name_hm=space_group_name,
+                coord_code=space_group_coord_code,
+                wyckoff_letter=wl,
+            )
+            atom.fract_x.value = dummy_atom['fract_x']
+            atom.fract_y.value = dummy_atom['fract_y']
+            atom.fract_z.value = dummy_atom['fract_z']
+
+    def _update(
+        self,
+        called_by_minimizer: bool = False,
+    ) -> None:
+        """
+        Recalculate atom sites after a change.
+
+        Parameters
+        ----------
+        called_by_minimizer : bool, default=False
+            Whether the update was triggered by the fitting minimizer.
+            Currently unused.
+        """
+        del called_by_minimizer
+
+        self._apply_atomic_coordinates_symmetry_constraints()
diff --git a/src/easydiffraction/datablocks/structure/categories/atom_sites/factory.py b/src/easydiffraction/datablocks/structure/categories/atom_sites/factory.py
new file mode 100644
index 00000000..c91b3dda
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/atom_sites/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Atom-sites factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class AtomSitesFactory(FactoryBase):
+    """Create atom-sites collections by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/structure/categories/cell/__init__.py b/src/easydiffraction/datablocks/structure/categories/cell/__init__.py
new file mode 100644
index 00000000..16f6cab2
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/cell/__init__.py
@@ -0,0 +1,4 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.structure.categories.cell.default import Cell
diff --git a/src/easydiffraction/datablocks/structure/categories/cell/default.py b/src/easydiffraction/datablocks/structure/categories/cell/default.py
new file mode 100644
index 00000000..53cc98ee
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/cell/default.py
@@ -0,0 +1,235 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Unit cell parameters category for structures."""
+
+from __future__ import annotations
+
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import RangeValidator
+from easydiffraction.core.variable import Parameter
+from easydiffraction.crystallography import crystallography as ecr
+from easydiffraction.datablocks.structure.categories.cell.factory import CellFactory
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@CellFactory.register
+class Cell(CategoryItem):
+    """
+    Unit cell with lengths a, b, c and angles alpha, beta, gamma.
+
+    All six lattice parameters are exposed as :class:`Parameter`
+    descriptors supporting validation, fitting and CIF serialization.
+    """
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Unit cell parameters',
+    )
+
+    def __init__(self) -> None:
+        """Initialise the unit cell with default parameter values."""
+        super().__init__()
+
+        self._length_a = Parameter(
+            name='length_a',
+            description='Length of the a axis of the unit cell',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=10.0,
+                validator=RangeValidator(ge=0, le=1000),
+            ),
+            cif_handler=CifHandler(names=['_cell.length_a']),
+        )
+        self._length_b = Parameter(
+            name='length_b',
+            description='Length of the b axis of the unit cell',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=10.0,
+                validator=RangeValidator(ge=0, le=1000),
+            ),
+            cif_handler=CifHandler(names=['_cell.length_b']),
+        )
+        self._length_c = Parameter(
+            name='length_c',
+            description='Length of the c axis of the unit cell',
+            units='Å',
+            value_spec=AttributeSpec(
+                default=10.0,
+                validator=RangeValidator(ge=0, le=1000),
+            ),
+            cif_handler=CifHandler(names=['_cell.length_c']),
+        )
+        self._angle_alpha = Parameter(
+            name='angle_alpha',
+            description='Angle between edges b and c',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=90.0,
+                validator=RangeValidator(ge=0, le=180),
+            ),
+            cif_handler=CifHandler(names=['_cell.angle_alpha']),
+        )
+        self._angle_beta = Parameter(
+            name='angle_beta',
+            description='Angle between edges a and c',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=90.0,
+                validator=RangeValidator(ge=0, le=180),
+            ),
+            cif_handler=CifHandler(names=['_cell.angle_beta']),
+        )
+        self._angle_gamma = Parameter(
+            name='angle_gamma',
+            description='Angle between edges a and b',
+            units='deg',
+            value_spec=AttributeSpec(
+                default=90.0,
+                validator=RangeValidator(ge=0, le=180),
+            ),
+            cif_handler=CifHandler(names=['_cell.angle_gamma']),
+        )
+
+        self._identity.category_code = 'cell'
+
+    # ------------------------------------------------------------------
+    #  Private helper methods
+    # ------------------------------------------------------------------
+
+    def _apply_cell_symmetry_constraints(self) -> None:
+        """
+        Apply symmetry constraints to cell parameters in place.
+
+        Uses the parent structure's space-group symbol to determine
+        which lattice parameters are dependent and sets them
+        accordingly.
+        """
+        dummy_cell = {
+            'lattice_a': self.length_a.value,
+            'lattice_b': self.length_b.value,
+            'lattice_c': self.length_c.value,
+            'angle_alpha': self.angle_alpha.value,
+            'angle_beta': self.angle_beta.value,
+            'angle_gamma': self.angle_gamma.value,
+        }
+        space_group_name = self._parent.space_group.name_h_m.value
+
+        ecr.apply_cell_symmetry_constraints(
+            cell=dummy_cell,
+            name_hm=space_group_name,
+        )
+
+        self.length_a.value = dummy_cell['lattice_a']
+        self.length_b.value = dummy_cell['lattice_b']
+        self.length_c.value = dummy_cell['lattice_c']
+        self.angle_alpha.value = dummy_cell['angle_alpha']
+        self.angle_beta.value = dummy_cell['angle_beta']
+        self.angle_gamma.value = dummy_cell['angle_gamma']
+
+    def _update(
+        self,
+        called_by_minimizer: bool = False,
+    ) -> None:
+        """
+        Recalculate cell parameters after a change.
+
+        Parameters
+        ----------
+        called_by_minimizer : bool, default=False
+            Whether the update was triggered by the fitting minimizer.
+            Currently unused.
+        """
+        del called_by_minimizer  # TODO: ???
+
+        self._apply_cell_symmetry_constraints()
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def length_a(self) -> Parameter:
+        """
+        Length of the a axis of the unit cell (Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._length_a
+
+    @length_a.setter
+    def length_a(self, value: float) -> None:
+        self._length_a.value = value
+
+    @property
+    def length_b(self) -> Parameter:
+        """
+        Length of the b axis of the unit cell (Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._length_b
+
+    @length_b.setter
+    def length_b(self, value: float) -> None:
+        self._length_b.value = value
+
+    @property
+    def length_c(self) -> Parameter:
+        """
+        Length of the c axis of the unit cell (Å).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._length_c
+
+    @length_c.setter
+    def length_c(self, value: float) -> None:
+        self._length_c.value = value
+
+    @property
+    def angle_alpha(self) -> Parameter:
+        """
+        Angle between edges b and c (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._angle_alpha
+
+    @angle_alpha.setter
+    def angle_alpha(self, value: float) -> None:
+        self._angle_alpha.value = value
+
+    @property
+    def angle_beta(self) -> Parameter:
+        """
+        Angle between edges a and c (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._angle_beta
+
+    @angle_beta.setter
+    def angle_beta(self, value: float) -> None:
+        self._angle_beta.value = value
+
+    @property
+    def angle_gamma(self) -> Parameter:
+        """
+        Angle between edges a and b (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._angle_gamma
+
+    @angle_gamma.setter
+    def angle_gamma(self, value: float) -> None:
+        self._angle_gamma.value = value
diff --git a/src/easydiffraction/datablocks/structure/categories/cell/factory.py b/src/easydiffraction/datablocks/structure/categories/cell/factory.py
new file mode 100644
index 00000000..6817b2d7
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/cell/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Cell factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class CellFactory(FactoryBase):
+    """Create unit-cell categories by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/structure/categories/space_group/__init__.py b/src/easydiffraction/datablocks/structure/categories/space_group/__init__.py
new file mode 100644
index 00000000..a8b33e62
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/space_group/__init__.py
@@ -0,0 +1,4 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.structure.categories.space_group.default import SpaceGroup
diff --git a/src/easydiffraction/datablocks/structure/categories/space_group/default.py b/src/easydiffraction/datablocks/structure/categories/space_group/default.py
new file mode 100644
index 00000000..a91cc554
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/space_group/default.py
@@ -0,0 +1,163 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Space group category for crystallographic structures."""
+
+from __future__ import annotations
+
+from cryspy.A_functions_base.function_2_space_group import ACCESIBLE_NAME_HM_SHORT
+from cryspy.A_functions_base.function_2_space_group import (
+    get_it_coordinate_system_codes_by_it_number,
+)
+from cryspy.A_functions_base.function_2_space_group import get_it_number_by_name_hm_short
+
+from easydiffraction.core.category import CategoryItem
+from easydiffraction.core.metadata import TypeInfo
+from easydiffraction.core.validation import AttributeSpec
+from easydiffraction.core.validation import MembershipValidator
+from easydiffraction.core.variable import StringDescriptor
+from easydiffraction.datablocks.structure.categories.space_group.factory import SpaceGroupFactory
+from easydiffraction.io.cif.handler import CifHandler
+
+
+@SpaceGroupFactory.register
+class SpaceGroup(CategoryItem):
+    """
+    Space group with H-M symbol and IT coordinate system code.
+
+    Holds the space-group symbol (``name_h_m``) and the International
+    Tables coordinate-system qualifier (``it_coordinate_system_code``).
+    Changing the symbol automatically resets the coordinate-system code
+    to the first allowed value for the new group.
+    """
+
+    type_info = TypeInfo(
+        tag='default',
+        description='Space group symmetry',
+    )
+
+    def __init__(self) -> None:
+        """Initialise the space group with default values."""
+        super().__init__()
+
+        self._name_h_m = StringDescriptor(
+            name='name_h_m',
+            description='Hermann-Mauguin symbol of the space group.',
+            value_spec=AttributeSpec(
+                default='P 1',
+                validator=MembershipValidator(
+                    allowed=lambda: self._name_h_m_allowed_values,
+                ),
+            ),
+            cif_handler=CifHandler(
+                # TODO: Keep only version with "." and automate ...
+                names=[
+                    '_space_group.name_H-M_alt',
+                    '_space_group_name_H-M_alt',
+                    '_symmetry.space_group_name_H-M',
+                    '_symmetry_space_group_name_H-M',
+                ]
+            ),
+        )
+        self._it_coordinate_system_code = StringDescriptor(
+            name='it_coordinate_system_code',
+            description='A qualifier identifying which setting in IT is used.',
+            value_spec=AttributeSpec(
+                default=lambda: self._it_coordinate_system_code_default_value,
+                validator=MembershipValidator(
+                    allowed=lambda: self._it_coordinate_system_code_allowed_values
+                ),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_space_group.IT_coordinate_system_code',
+                    '_space_group_IT_coordinate_system_code',
+                    '_symmetry.IT_coordinate_system_code',
+                    '_symmetry_IT_coordinate_system_code',
+                ]
+            ),
+        )
+
+        self._identity.category_code = 'space_group'
+
+    # ------------------------------------------------------------------
+    #  Private helper methods
+    # ------------------------------------------------------------------
+
+    def _reset_it_coordinate_system_code(self) -> None:
+        """Reset IT coordinate system code to default for this group."""
+        self._it_coordinate_system_code.value = self._it_coordinate_system_code_default_value
+
+    @property
+    def _name_h_m_allowed_values(self) -> list[str]:
+        """
+        Return the list of recognised Hermann–Mauguin short symbols.
+
+        Returns
+        -------
+        list[str]
+            All short H-M symbols known to *cryspy*.
+        """
+        return ACCESIBLE_NAME_HM_SHORT
+
+    @property
+    def _it_coordinate_system_code_allowed_values(self) -> list[str]:
+        """
+        Return allowed IT coordinate system codes for the current group.
+
+        Returns
+        -------
+        list[str]
+            Coordinate-system codes, or ``['']`` when none are defined.
+        """
+        name = self.name_h_m.value
+        it_number = get_it_number_by_name_hm_short(name)
+        codes = get_it_coordinate_system_codes_by_it_number(it_number)
+        codes = [str(code) for code in codes]
+        return codes if codes else ['']
+
+    @property
+    def _it_coordinate_system_code_default_value(self) -> str:
+        """
+        Return the default IT coordinate system code.
+
+        Returns
+        -------
+        str
+            First element of the allowed codes list.
+        """
+        return self._it_coordinate_system_code_allowed_values[0]
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def name_h_m(self) -> StringDescriptor:
+        """
+        Hermann-Mauguin symbol of the space group.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._name_h_m
+
+    @name_h_m.setter
+    def name_h_m(self, value: str) -> None:
+        self._name_h_m.value = value
+        self._reset_it_coordinate_system_code()
+
+    @property
+    def it_coordinate_system_code(self) -> StringDescriptor:
+        """
+        A qualifier identifying which setting in IT is used.
+
+        Reading this property returns the underlying
+        ``StringDescriptor`` object. Assigning to it updates the
+        parameter value.
+        """
+        return self._it_coordinate_system_code
+
+    @it_coordinate_system_code.setter
+    def it_coordinate_system_code(self, value: str) -> None:
+        self._it_coordinate_system_code.value = value
diff --git a/src/easydiffraction/datablocks/structure/categories/space_group/factory.py b/src/easydiffraction/datablocks/structure/categories/space_group/factory.py
new file mode 100644
index 00000000..9ef8611d
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/categories/space_group/factory.py
@@ -0,0 +1,15 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Space-group factory — delegates entirely to ``FactoryBase``."""
+
+from __future__ import annotations
+
+from easydiffraction.core.factory import FactoryBase
+
+
+class SpaceGroupFactory(FactoryBase):
+    """Create space-group categories by tag."""
+
+    _default_rules = {
+        frozenset(): 'default',
+    }
diff --git a/src/easydiffraction/datablocks/structure/collection.py b/src/easydiffraction/datablocks/structure/collection.py
new file mode 100644
index 00000000..801b416a
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/collection.py
@@ -0,0 +1,92 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Collection of structure data blocks."""
+
+from typeguard import typechecked
+
+from easydiffraction.core.datablock import DatablockCollection
+from easydiffraction.datablocks.structure.item.base import Structure
+from easydiffraction.datablocks.structure.item.factory import StructureFactory
+from easydiffraction.utils.logging import console
+
+
+class Structures(DatablockCollection):
+    """
+    Ordered collection of :class:`Structure` instances.
+
+    Provides convenience ``add_from_*`` methods that mirror the
+    :class:`StructureFactory` classmethods plus a bare :meth:`add` for
+    inserting pre-built structures.
+    """
+
+    def __init__(self) -> None:
+        """Initialise an empty structures collection."""
+        super().__init__(item_type=Structure)
+
+    # ------------------------------------------------------------------
+    # Public methods
+    # ------------------------------------------------------------------
+
+    # TODO: Make abstract in DatablockCollection?
+    @typechecked
+    def create(
+        self,
+        *,
+        name: str,
+    ) -> None:
+        """
+        Create a minimal structure and add it to the collection.
+
+        Parameters
+        ----------
+        name : str
+            Identifier for the new structure.
+        """
+        structure = StructureFactory.from_scratch(name=name)
+        self.add(structure)
+
+    # TODO: Move to DatablockCollection?
+    @typechecked
+    def add_from_cif_str(
+        self,
+        cif_str: str,
+    ) -> None:
+        """
+        Create a structure from CIF content and add it.
+
+        Parameters
+        ----------
+        cif_str : str
+            CIF file content as a string.
+        """
+        structure = StructureFactory.from_cif_str(cif_str)
+        self.add(structure)
+
+    # TODO: Move to DatablockCollection?
+    @typechecked
+    def add_from_cif_path(
+        self,
+        cif_path: str,
+    ) -> None:
+        """
+        Create a structure from a CIF file and add it.
+
+        Parameters
+        ----------
+        cif_path : str
+            Filesystem path to a CIF file.
+        """
+        structure = StructureFactory.from_cif_path(cif_path)
+        self.add(structure)
+
+    # TODO: Move to DatablockCollection?
+    def show_names(self) -> None:
+        """List all structure names in the collection."""
+        console.paragraph('Defined structures' + ' 🧩')
+        console.print(self.names)
+
+    # TODO: Move to DatablockCollection?
+    def show_params(self) -> None:
+        """Show parameters of all structures in the collection."""
+        for structure in self.values():
+            structure.show_params()
diff --git a/src/easydiffraction/datablocks/structure/item/__init__.py b/src/easydiffraction/datablocks/structure/item/__init__.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/item/__init__.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/datablocks/structure/item/base.py b/src/easydiffraction/datablocks/structure/item/base.py
new file mode 100644
index 00000000..80d8f76a
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/item/base.py
@@ -0,0 +1,255 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Structure datablock item."""
+
+from typeguard import typechecked
+
+from easydiffraction.core.datablock import DatablockItem
+from easydiffraction.datablocks.structure.categories.atom_sites import AtomSites
+from easydiffraction.datablocks.structure.categories.atom_sites.factory import AtomSitesFactory
+from easydiffraction.datablocks.structure.categories.cell import Cell
+from easydiffraction.datablocks.structure.categories.cell.factory import CellFactory
+from easydiffraction.datablocks.structure.categories.space_group import SpaceGroup
+from easydiffraction.datablocks.structure.categories.space_group.factory import SpaceGroupFactory
+from easydiffraction.utils.logging import console
+from easydiffraction.utils.logging import log
+from easydiffraction.utils.utils import render_cif
+
+
+class Structure(DatablockItem):
+    """Structure datablock item."""
+
+    def __init__(
+        self,
+        *,
+        name: str,
+    ) -> None:
+        super().__init__()
+        self._name = name
+        self._cell_type: str = CellFactory.default_tag()
+        self._cell = CellFactory.create(self._cell_type)
+        self._space_group_type: str = SpaceGroupFactory.default_tag()
+        self._space_group = SpaceGroupFactory.create(self._space_group_type)
+        self._atom_sites_type: str = AtomSitesFactory.default_tag()
+        self._atom_sites = AtomSitesFactory.create(self._atom_sites_type)
+        self._identity.datablock_entry_name = lambda: self.name
+
+    # ------------------------------------------------------------------
+    # Public properties
+    # ------------------------------------------------------------------
+
+    @property
+    def name(self) -> str:
+        """
+        Name identifier for this structure.
+
+        Returns
+        -------
+        str
+            The structure's name.
+        """
+        return self._name
+
+    @name.setter
+    @typechecked
+    def name(self, new: str) -> None:
+        """
+        Set the name identifier for this structure.
+
+        Parameters
+        ----------
+        new : str
+            New name string.
+        """
+        self._name = new
+
+    # ------------------------------------------------------------------
+    #  Cell (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def cell(self) -> Cell:
+        """Unit-cell category for this structure."""
+        return self._cell
+
+    @cell.setter
+    @typechecked
+    def cell(self, new: Cell) -> None:
+        """
+        Replace the unit-cell category for this structure.
+
+        Parameters
+        ----------
+        new : Cell
+            New unit-cell instance.
+        """
+        self._cell = new
+
+    @property
+    def cell_type(self) -> str:
+        """Tag of the active unit-cell type."""
+        return self._cell_type
+
+    @cell_type.setter
+    def cell_type(self, new_type: str) -> None:
+        """
+        Switch to a different unit-cell type.
+
+        Parameters
+        ----------
+        new_type : str
+            Cell tag (e.g. ``'default'``).
+        """
+        supported_tags = CellFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported cell type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_cell_types()'",
+            )
+            return
+        self._cell = CellFactory.create(new_type)
+        self._cell_type = new_type
+        console.paragraph(f"Cell type for structure '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_cell_types(self) -> None:
+        """Print a table of supported unit-cell types."""
+        CellFactory.show_supported()
+
+    def show_current_cell_type(self) -> None:
+        """Print the currently used unit-cell type."""
+        console.paragraph('Current cell type')
+        console.print(self.cell_type)
+
+    # ------------------------------------------------------------------
+    #  Space group (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def space_group(self) -> SpaceGroup:
+        """Space-group category for this structure."""
+        return self._space_group
+
+    @space_group.setter
+    @typechecked
+    def space_group(self, new: SpaceGroup) -> None:
+        """
+        Replace the space-group category for this structure.
+
+        Parameters
+        ----------
+        new : SpaceGroup
+            New space-group instance.
+        """
+        self._space_group = new
+
+    @property
+    def space_group_type(self) -> str:
+        """Tag of the active space-group type."""
+        return self._space_group_type
+
+    @space_group_type.setter
+    def space_group_type(self, new_type: str) -> None:
+        """
+        Switch to a different space-group type.
+
+        Parameters
+        ----------
+        new_type : str
+            Space-group tag (e.g. ``'default'``).
+        """
+        supported_tags = SpaceGroupFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported space group type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_space_group_types()'",
+            )
+            return
+        self._space_group = SpaceGroupFactory.create(new_type)
+        self._space_group_type = new_type
+        console.paragraph(f"Space group type for structure '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_space_group_types(self) -> None:
+        """Print a table of supported space-group types."""
+        SpaceGroupFactory.show_supported()
+
+    def show_current_space_group_type(self) -> None:
+        """Print the currently used space-group type."""
+        console.paragraph('Current space group type')
+        console.print(self.space_group_type)
+
+    # ------------------------------------------------------------------
+    #  Atom sites (switchable-category pattern)
+    # ------------------------------------------------------------------
+
+    @property
+    def atom_sites(self) -> AtomSites:
+        """Atom-sites collection for this structure."""
+        return self._atom_sites
+
+    @atom_sites.setter
+    @typechecked
+    def atom_sites(self, new: AtomSites) -> None:
+        """
+        Replace the atom-sites collection for this structure.
+
+        Parameters
+        ----------
+        new : AtomSites
+            New atom-sites collection.
+        """
+        self._atom_sites = new
+
+    @property
+    def atom_sites_type(self) -> str:
+        """Tag of the active atom-sites collection type."""
+        return self._atom_sites_type
+
+    @atom_sites_type.setter
+    def atom_sites_type(self, new_type: str) -> None:
+        """
+        Switch to a different atom-sites collection type.
+
+        Parameters
+        ----------
+        new_type : str
+            Atom-sites tag (e.g. ``'default'``).
+        """
+        supported_tags = AtomSitesFactory.supported_tags()
+        if new_type not in supported_tags:
+            log.warning(
+                f"Unsupported atom sites type '{new_type}'. "
+                f'Supported: {supported_tags}. '
+                f"For more information, use 'show_supported_atom_sites_types()'",
+            )
+            return
+        self._atom_sites = AtomSitesFactory.create(new_type)
+        self._atom_sites_type = new_type
+        console.paragraph(f"Atom sites type for structure '{self.name}' changed to")
+        console.print(new_type)
+
+    def show_supported_atom_sites_types(self) -> None:
+        """Print a table of supported atom-sites collection types."""
+        AtomSitesFactory.show_supported()
+
+    def show_current_atom_sites_type(self) -> None:
+        """Print the currently used atom-sites collection type."""
+        console.paragraph('Current atom sites type')
+        console.print(self.atom_sites_type)
+
+    # ------------------------------------------------------------------
+    # Public methods
+    # ------------------------------------------------------------------
+
+    def show(self) -> None:
+        """Display an ASCII projection of the structure in 2D."""
+        console.paragraph(f"Structure 🧩 '{self.name}'")
+        console.print('Not implemented yet.')
+
+    def show_as_cif(self) -> None:
+        """Render the CIF text for this structure in the terminal."""
+        console.paragraph(f"Structure 🧩 '{self.name}' as cif")
+        render_cif(self.as_cif)
diff --git a/src/easydiffraction/datablocks/structure/item/factory.py b/src/easydiffraction/datablocks/structure/item/factory.py
new file mode 100644
index 00000000..567d26dc
--- /dev/null
+++ b/src/easydiffraction/datablocks/structure/item/factory.py
@@ -0,0 +1,137 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""
+Factory for creating structure instances from various inputs.
+
+Provides individual class methods for each creation pathway:
+``from_scratch``, ``from_cif_path``, or ``from_cif_str``.
+"""
+
+from __future__ import annotations
+
+from typing import TYPE_CHECKING
+
+from typeguard import typechecked
+
+from easydiffraction.datablocks.structure.item.base import Structure
+from easydiffraction.io.cif.parse import document_from_path
+from easydiffraction.io.cif.parse import document_from_string
+from easydiffraction.io.cif.parse import name_from_block
+from easydiffraction.io.cif.parse import pick_sole_block
+from easydiffraction.utils.logging import log
+
+if TYPE_CHECKING:
+    import gemmi
+
+
+class StructureFactory:
+    """Create :class:`Structure` instances from supported inputs."""
+
+    def __init__(self) -> None:
+        log.error(
+            'Structure objects must be created using class methods such as '
+            '`StructureFactory.from_cif_str(...)`, etc.'
+        )
+
+    # ------------------------------------------------------------------
+    # Private helper methods
+    # ------------------------------------------------------------------
+
+    @classmethod
+    # TODO: @typechecked fails to find gemmi?
+    def _from_gemmi_block(
+        cls,
+        block: gemmi.cif.Block,
+    ) -> Structure:
+        """
+        Build a structure from a single *gemmi* CIF block.
+
+        Parameters
+        ----------
+        block : gemmi.cif.Block
+            Parsed CIF data block.
+
+        Returns
+        -------
+        Structure
+            A fully populated structure instance.
+        """
+        name = name_from_block(block)
+        structure = Structure(name=name)
+        for category in structure.categories:
+            category.from_cif(block)
+        return structure
+
+    # ------------------------------------------------------------------
+    # Public methods
+    # ------------------------------------------------------------------
+
+    @classmethod
+    @typechecked
+    def from_scratch(
+        cls,
+        *,
+        name: str,
+    ) -> Structure:
+        """
+        Create a minimal default structure.
+
+        Parameters
+        ----------
+        name : str
+            Identifier for the new structure.
+
+        Returns
+        -------
+        Structure
+            An empty structure with default categories.
+        """
+        return Structure(name=name)
+
+    # TODO: add minimal default configuration for missing parameters
+    @classmethod
+    @typechecked
+    def from_cif_str(
+        cls,
+        cif_str: str,
+    ) -> Structure:
+        """
+        Create a structure by parsing a CIF string.
+
+        Parameters
+        ----------
+        cif_str : str
+            Raw CIF content.
+
+        Returns
+        -------
+        Structure
+            A populated structure instance.
+        """
+        doc = document_from_string(cif_str)
+        block = pick_sole_block(doc)
+        return cls._from_gemmi_block(block)
+
+    # TODO: Read content and call self.from_cif_str
+    @classmethod
+    @typechecked
+    def from_cif_path(
+        cls,
+        cif_path: str,
+    ) -> Structure:
+        """
+        Create a structure by reading and parsing a CIF file.
+
+        Parameters
+        ----------
+        cif_path : str
+            Filesystem path to a CIF file.
+
+        Returns
+        -------
+        Structure
+            A populated structure instance.
+        """
+        doc = document_from_path(cif_path)
+        block = pick_sole_block(doc)
+        return cls._from_gemmi_block(block)
diff --git a/src/easydiffraction/display/__init__.py b/src/easydiffraction/display/__init__.py
index 265560b2..25bccda4 100644
--- a/src/easydiffraction/display/__init__.py
+++ b/src/easydiffraction/display/__init__.py
@@ -1,14 +1,15 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Display subsystem for tables and plots.
+"""
+Display subsystem for tables and plots.
 
-This package contains user-facing facades and backend implementations
-to render tabular data and plots in different environments.
+This package contains user-facing facades and backend implementations to
+render tabular data and plots in different environments.
 
 - Tables: see :mod:`easydiffraction.display.tables` and the engines in
-        :mod:`easydiffraction.display.tablers`.
-- Plots: see :mod:`easydiffraction.display.plotting` and the engines in
-        :mod:`easydiffraction.display.plotters`.
+:mod:`easydiffraction.display.tablers`. - Plots: see
+:mod:`easydiffraction.display.plotting` and the engines in
+:mod:`easydiffraction.display.plotters`.
 """
 
 # TODO: The following works in Jupyter, but breaks MkDocs builds.
diff --git a/src/easydiffraction/display/base.py b/src/easydiffraction/display/base.py
index c3babcff..6ffc0698 100644
--- a/src/easydiffraction/display/base.py
+++ b/src/easydiffraction/display/base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Common base classes for display components and their factories."""
 
@@ -6,26 +6,26 @@
 
 from abc import ABC
 from abc import abstractmethod
-from typing import Any
 from typing import List
 from typing import Tuple
 
 import pandas as pd
 
-from easydiffraction.core.singletons import SingletonBase
+from easydiffraction.core.singleton import SingletonBase
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.logging import log
 
 
 class RendererBase(SingletonBase, ABC):
-    """Base class for display components with pluggable engines.
+    """
+    Base class for display components with pluggable engines.
 
     Subclasses provide a factory and a default engine. This class
     manages the active backend instance and exposes helpers to inspect
     supported engines in a table-friendly format.
     """
 
-    def __init__(self):
+    def __init__(self) -> None:
         self._engine = self._default_engine()
         self._backend = self._factory().create(self._engine)
 
@@ -43,10 +43,27 @@ def _default_engine(cls) -> str:
 
     @property
     def engine(self) -> str:
+        """
+        Return the name of the currently active rendering engine.
+
+        Returns
+        -------
+        str
+            Identifier of the active engine.
+        """
         return self._engine
 
     @engine.setter
     def engine(self, new_engine: str) -> None:
+        """
+        Switch to a different rendering engine.
+
+        Parameters
+        ----------
+        new_engine : str
+            Identifier of the engine to activate.  Must be a key
+            returned by ``_factory()._registry()``.
+        """
         if new_engine == self._engine:
             log.info(f"Engine is already set to '{new_engine}'. No change made.")
             return
@@ -90,18 +107,25 @@ class RendererFactoryBase(ABC):
     """Base factory that manages discovery and creation of backends."""
 
     @classmethod
-    def create(cls, engine_name: str) -> Any:
-        """Create a backend instance for the given engine.
+    def create(cls, engine_name: str) -> object:
+        """
+        Create a backend instance for the given engine.
 
-        Args:
-            engine_name: Identifier of the engine to instantiate as
-                listed in ``_registry()``.
+        Parameters
+        ----------
+        engine_name : str
+            Identifier of the engine to instantiate as listed in
+            ``_registry()``.
 
-        Returns:
+        Returns
+        -------
+        object
             A new backend instance corresponding to ``engine_name``.
 
-        Raises:
-            ValueError: If the engine name is not supported.
+        Raises
+        ------
+        ValueError
+            If the engine name is not supported.
         """
         registry = cls._registry()
         if engine_name not in registry:
@@ -117,16 +141,15 @@ def supported_engines(cls) -> List[str]:
 
     @classmethod
     def descriptions(cls) -> List[Tuple[str, str]]:
-        """Return pairs of engine name and human-friendly
-        description.
-        """
+        """Return (name, description) pairs for each engine."""
         items = cls._registry().items()
         return [(name, config.get('description')) for name, config in items]
 
     @classmethod
     @abstractmethod
     def _registry(cls) -> dict:
-        """Return engine registry. Implementations must provide this.
+        """
+        Return engine registry. Implementations must provide this.
 
         The returned mapping should have keys as engine names and values
         as a config dict with 'description' and 'class'. Lazy imports
diff --git a/src/easydiffraction/display/plotters/__init__.py b/src/easydiffraction/display/plotters/__init__.py
index 14dae26a..09931ae8 100644
--- a/src/easydiffraction/display/plotters/__init__.py
+++ b/src/easydiffraction/display/plotters/__init__.py
@@ -1,10 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Plotting backends.
+"""
+Plotting backends.
 
 This subpackage implements plotting engines used by the high-level
 plotting facade:
 
-- :mod:`.ascii` for terminal-friendly ASCII plots.
-- :mod:`.plotly` for interactive plots in notebooks or browsers.
+- :mod:`.ascii` for terminal-friendly ASCII plots. - :mod:`.plotly` for
+interactive plots in notebooks or browsers.
 """
diff --git a/src/easydiffraction/display/plotters/ascii.py b/src/easydiffraction/display/plotters/ascii.py
index f9ef8904..32ee45ed 100644
--- a/src/easydiffraction/display/plotters/ascii.py
+++ b/src/easydiffraction/display/plotters/ascii.py
@@ -1,13 +1,15 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""ASCII plotting backend.
+"""
+ASCII plotting backend.
 
-Renders compact line charts in the terminal using
-``asciichartpy``. This backend is well suited for quick feedback in
-CLI environments and keeps a consistent API with other plotters.
+Renders compact line charts in the terminal using ``asciichartpy``. This
+backend is well suited for quick feedback in CLI environments and keeps
+a consistent API with other plotters.
 """
 
 import asciichartpy
+import numpy as np
 
 from easydiffraction.display.plotters.base import DEFAULT_HEIGHT
 from easydiffraction.display.plotters.base import SERIES_CONFIG
@@ -24,16 +26,21 @@
 class AsciiPlotter(PlotterBase):
     """Terminal-based plotter using ASCII art."""
 
-    def _get_legend_item(self, label):
-        """Return a colored legend entry for a given series label.
+    def _get_legend_item(self, label: str) -> str:
+        """
+        Return a colored legend entry for a given series label.
 
-        The legend uses a colored line matching the series color and
-        the human-readable name from :data:`SERIES_CONFIG`.
+        The legend uses a colored line matching the series color and the
+        human-readable name from :data:`SERIES_CONFIG`.
 
-        Args:
-            label: Series identifier (e.g., ``'meas'``).
+        Parameters
+        ----------
+        label : str
+            Series identifier (e.g., ``'meas'``).
 
-        Returns:
+        Returns
+        -------
+        str
             A formatted legend string with color escapes.
         """
         color_start = DEFAULT_COLORS[label]
@@ -43,25 +50,36 @@ def _get_legend_item(self, label):
         item = f'{color_start}{line}{color_end} {name}'
         return item
 
-    def plot(
+    def plot_powder(
         self,
-        x,
-        y_series,
-        labels,
-        axes_labels,
-        title,
-        height=None,
-    ):
-        """Render a compact ASCII chart in the terminal.
-
-        Args:
-            x: 1D array-like of x values (only used for range
-                display).
-            y_series: Sequence of y arrays to plot.
-            labels: Series identifiers corresponding to y_series.
-            axes_labels: Ignored; kept for API compatibility.
-            title: Figure title printed above the chart.
-            height: Number of text rows to allocate for the chart.
+        x: object,
+        y_series: object,
+        labels: object,
+        axes_labels: object,
+        title: str,
+        height: int | None = None,
+    ) -> None:
+        """
+        Render a line plot for powder diffraction data.
+
+        Suitable for powder diffraction data where intensity is plotted
+        against an x-axis variable (2θ, TOF, d-spacing). Uses ASCII
+        characters for terminal display.
+
+        Parameters
+        ----------
+        x : object
+            1D array-like of x values (only used for range display).
+        y_series : object
+            Sequence of y arrays to plot.
+        labels : object
+            Series identifiers corresponding to y_series.
+        axes_labels : object
+            Ignored; kept for API compatibility.
+        title : str
+            Figure title printed above the chart.
+        height : int | None, default=None
+            Number of text rows to allocate for the chart.
         """
         # Intentionally unused; kept for a consistent display API
         del axes_labels
@@ -84,3 +102,105 @@ def plot(
         padded = '\n'.join(' ' + line for line in chart.splitlines())
 
         print(padded)
+
+    def plot_single_crystal(
+        self,
+        x_calc: object,
+        y_meas: object,
+        y_meas_su: object,
+        axes_labels: object,
+        title: str,
+        height: int | None = None,
+    ) -> None:
+        """
+        Render a scatter plot for single crystal diffraction data.
+
+        Creates an ASCII scatter plot showing measured vs calculated
+        values with a diagonal reference line.
+
+        Parameters
+        ----------
+        x_calc : object
+            1D array-like of calculated values (x-axis).
+        y_meas : object
+            1D array-like of measured values (y-axis).
+        y_meas_su : object
+            1D array-like of measurement uncertainties (ignored in ASCII
+            mode).
+        axes_labels : object
+            Pair of strings for the x and y titles.
+        title : str
+            Figure title.
+        height : int | None, default=None
+            Number of text rows for the chart (default: 15).
+        """
+        # Intentionally unused; ASCII scatter doesn't show error bars
+        del y_meas_su
+
+        if height is None:
+            height = DEFAULT_HEIGHT
+        width = 60  # TODO: Make width configurable
+
+        # Determine axis limits
+        vmin = float(min(np.min(y_meas), np.min(x_calc)))
+        vmax = float(max(np.max(y_meas), np.max(x_calc)))
+        pad = 0.05 * (vmax - vmin) if vmax > vmin else 1.0
+        vmin -= pad
+        vmax += pad
+
+        # Create empty grid
+        grid = [[' ' for _ in range(width)] for _ in range(height)]
+
+        # Draw diagonal line (calc == meas)
+        for i in range(min(width, height)):
+            row = height - 1 - int(i * height / width)
+            col = i
+            if 0 <= row < height and 0 <= col < width:
+                grid[row][col] = '·'
+
+        # Plot data points
+        for xv, yv in zip(x_calc, y_meas, strict=False):
+            col = int((xv - vmin) / (vmax - vmin) * (width - 1))
+            row = height - 1 - int((yv - vmin) / (vmax - vmin) * (height - 1))
+            if 0 <= row < height and 0 <= col < width:
+                grid[row][col] = '●'
+
+        # Build chart string with axes
+        chart_lines = []
+        for row in grid:
+            label = '│'
+            chart_lines.append(label + ''.join(row))
+
+        # X-axis
+        x_axis = '└' + '─' * width
+
+        # Print output
+        console.paragraph(f'{title}')
+        console.print(f'{axes_labels[1]}')
+        for line in chart_lines:
+            print(f'  {line}')
+        print(f'  {x_axis}')
+        console.print(f'{" " * (width - 3)}{axes_labels[0]}')
+
+    def plot_scatter(
+        self,
+        x: object,
+        y: object,
+        sy: object,
+        axes_labels: object,
+        title: str,
+        height: int | None = None,
+    ) -> None:
+        """Render a scatter plot with error bars in ASCII."""
+        _ = x, sy  # ASCII backend does not use x ticks or error bars
+
+        if height is None:
+            height = DEFAULT_HEIGHT
+
+        config = {'height': height, 'colors': [asciichartpy.blue]}
+        chart = asciichartpy.plot([list(y)], config)
+
+        console.paragraph(f'{title}')
+        console.print(f'{axes_labels[1]} vs {axes_labels[0]}')
+        padded = '\n'.join(' ' + line for line in chart.splitlines())
+        print(padded)
diff --git a/src/easydiffraction/display/plotters/base.py b/src/easydiffraction/display/plotters/base.py
index 43c22767..67fea11f 100644
--- a/src/easydiffraction/display/plotters/base.py
+++ b/src/easydiffraction/display/plotters/base.py
@@ -1,39 +1,137 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Abstract base and shared constants for plotting backends."""
 
 from abc import ABC
 from abc import abstractmethod
+from enum import Enum
 
 import numpy as np
 
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
 
-DEFAULT_HEIGHT = 9
+DEFAULT_HEIGHT = 25
 DEFAULT_MIN = -np.inf
 DEFAULT_MAX = np.inf
 
+
+class XAxisType(str, Enum):
+    """
+    X-axis types for diffraction plots.
+
+    Values match attribute names in data models for direct use with
+    ``getattr(pattern, x_axis)``.
+    """
+
+    TWO_THETA = 'two_theta'
+    TIME_OF_FLIGHT = 'time_of_flight'
+    R = 'x'
+
+    INTENSITY_CALC = 'intensity_calc'
+
+    D_SPACING = 'd_spacing'
+    SIN_THETA_OVER_LAMBDA = 'sin_theta_over_lambda'
+
+
+# Map (SampleFormEnum, ScatteringTypeEnum, BeamModeEnum) to default
+# x-axis type
+DEFAULT_X_AXIS = {
+    # Powder Bragg diffraction
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        BeamModeEnum.CONSTANT_WAVELENGTH,
+    ): XAxisType.TWO_THETA,
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        BeamModeEnum.TIME_OF_FLIGHT,
+    ): XAxisType.TIME_OF_FLIGHT,
+    # Powder total scattering (PDF) — always r-space
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.TOTAL,
+        BeamModeEnum.CONSTANT_WAVELENGTH,
+    ): XAxisType.R,
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.TOTAL,
+        BeamModeEnum.TIME_OF_FLIGHT,
+    ): XAxisType.R,
+    # Single crystal Bragg diffraction
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        BeamModeEnum.CONSTANT_WAVELENGTH,
+    ): XAxisType.INTENSITY_CALC,
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        BeamModeEnum.TIME_OF_FLIGHT,
+    ): XAxisType.INTENSITY_CALC,
+}
+
 DEFAULT_AXES_LABELS = {
-    (ScatteringTypeEnum.BRAGG, BeamModeEnum.CONSTANT_WAVELENGTH): [
+    # Powder Bragg diffraction
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.TWO_THETA,
+    ): [
         '2θ (degree)',
         'Intensity (arb. units)',
     ],
-    (ScatteringTypeEnum.BRAGG, BeamModeEnum.TIME_OF_FLIGHT): [
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.TIME_OF_FLIGHT,
+    ): [
         'TOF (µs)',
         'Intensity (arb. units)',
     ],
-    (ScatteringTypeEnum.BRAGG, 'd-spacing'): [
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.D_SPACING,
+    ): [
         'd (Å)',
         'Intensity (arb. units)',
     ],
-    (ScatteringTypeEnum.TOTAL, BeamModeEnum.CONSTANT_WAVELENGTH): [
-        'r (Å)',
-        'G(r) (Å)',
+    # Powder total scattering (PDF)
+    (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.TOTAL,
+        XAxisType.R,
+    ): [
+        'r (Å)',
+        'G(r) (Å)',
+    ],
+    # Single crystal Bragg diffraction
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.INTENSITY_CALC,
+    ): [
+        'I²calc',
+        'I²meas',
     ],
-    (ScatteringTypeEnum.TOTAL, BeamModeEnum.TIME_OF_FLIGHT): [
-        'r (Å)',
-        'G(r) (Å)',
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.D_SPACING,
+    ): [
+        'd (Å)',
+        'Intensity (arb. units)',
+    ],
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.SIN_THETA_OVER_LAMBDA,
+    ): [
+        'sin(θ)/λ (Å⁻¹)',
+        'Intensity (arb. units)',
     ],
 }
 
@@ -54,30 +152,110 @@
 
 
 class PlotterBase(ABC):
-    """Abstract base for plotting backends.
+    """
+    Abstract base for plotting backends.
 
     Implementations accept x values, multiple y-series, optional labels
     and render a plot to the chosen medium.
+
+    Two main plot types are supported: - ``plot_powder``: Line plots for
+    powder diffraction patterns   (intensity vs. 2θ/TOF/d-spacing). -
+    ``plot_single_crystal``: Scatter plots comparing measured vs.
+    calculated values (e.g., F²meas vs F²calc for single crystal).
     """
 
     @abstractmethod
-    def plot(
+    def plot_powder(
         self,
-        x,
-        y_series,
-        labels,
-        axes_labels,
-        title,
-        height,
-    ):
-        """Render a plot.
-
-        Args:
-            x: 1D array of x-axis values.
-            y_series: Sequence of y arrays to plot.
-            labels: Identifiers corresponding to y_series.
-            axes_labels: Pair of strings for the x and y titles.
-            title: Figure title.
-            height: Backend-specific height (text rows or pixels).
+        x: object,
+        y_series: object,
+        labels: object,
+        axes_labels: object,
+        title: str,
+        height: int | None,
+    ) -> None:
+        """
+        Render a line plot for powder diffraction data.
+
+        Suitable for powder diffraction data where intensity is plotted
+        against an x-axis variable (2θ, TOF, d-spacing).
+
+        Parameters
+        ----------
+        x : object
+            1D array of x-axis values.
+        y_series : object
+            Sequence of y arrays to plot.
+        labels : object
+            Identifiers corresponding to y_series.
+        axes_labels : object
+            Pair of strings for the x and y titles.
+        title : str
+            Figure title.
+        height : int | None
+            Backend-specific height (text rows or pixels).
+        """
+        pass
+
+    @abstractmethod
+    def plot_single_crystal(
+        self,
+        x_calc: object,
+        y_meas: object,
+        y_meas_su: object,
+        axes_labels: object,
+        title: str,
+        height: int | None,
+    ) -> None:
+        """
+        Render a scatter plot for single crystal diffraction data.
+
+        Suitable for single crystal diffraction data where measured
+        values are plotted against calculated values with error bars.
+
+        Parameters
+        ----------
+        x_calc : object
+            1D array of calculated values (x-axis).
+        y_meas : object
+            1D array of measured values (y-axis).
+        y_meas_su : object
+            1D array of measurement uncertainties.
+        axes_labels : object
+            Pair of strings for the x and y titles.
+        title : str
+            Figure title.
+        height : int | None
+            Backend-specific height (text rows or pixels).
+        """
+        pass
+
+    @abstractmethod
+    def plot_scatter(
+        self,
+        x: object,
+        y: object,
+        sy: object,
+        axes_labels: object,
+        title: str,
+        height: int | None,
+    ) -> None:
+        """
+        Render a scatter plot with error bars.
+
+        Parameters
+        ----------
+        x : object
+            1-D array of x-axis values.
+        y : object
+            1-D array of y-axis values.
+        sy : object
+            1-D array of y uncertainties.
+        axes_labels : object
+            Pair of strings for x and y axis titles.
+        title : str
+            Figure title.
+        height : int | None
+            Backend-specific height (text rows or pixels).
         """
         pass
diff --git a/src/easydiffraction/display/plotters/plotly.py b/src/easydiffraction/display/plotters/plotly.py
index f91156d1..9d559d02 100644
--- a/src/easydiffraction/display/plotters/plotly.py
+++ b/src/easydiffraction/display/plotters/plotly.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Plotly plotting backend.
+"""
+Plotly plotting backend.
 
 Provides an interactive plotting implementation using Plotly. In
 notebooks, figures are displayed inline; in other environments a browser
@@ -36,16 +37,27 @@ class PlotlyPlotter(PlotterBase):
     if in_pycharm():
         pio.renderers.default = 'browser'
 
-    def _get_trace(self, x, y, label):
-        """Create a Plotly trace for a single data series.
+    def _get_powder_trace(
+        self,
+        x: object,
+        y: object,
+        label: str,
+    ) -> object:
+        """
+        Create a Plotly trace for powder diffraction data.
 
-        Args:
-            x: 1D array-like of x-axis values.
-            y: 1D array-like of y-axis values.
-            label: Series identifier (``'meas'``, ``'calc'``, or
-                ``'resid'``).
+        Parameters
+        ----------
+        x : object
+            1D array-like of x-axis values.
+        y : object
+            1D array- like of y-axis values.
+        label : str
+            Series identifier (``'meas'``, ``'calc'``, or ``'resid'``).
 
-        Returns:
+        Returns
+        -------
+        object
             A configured :class:`plotly.graph_objects.Scatter` trace.
         """
         mode = SERIES_CONFIG[label]['mode']
@@ -63,34 +75,173 @@ def _get_trace(self, x, y, label):
 
         return trace
 
-    def plot(
+    def _get_single_crystal_trace(
         self,
-        x,
-        y_series,
-        labels,
-        axes_labels,
-        title,
-        height=None,
-    ):
-        """Render an interactive Plotly figure.
-
-        Args:
-            x: 1D array-like of x-axis values.
-            y_series: Sequence of y arrays to plot.
-            labels: Series identifiers corresponding to y_series.
-            axes_labels: Pair of strings for the x and y titles.
-            title: Figure title.
-            height: Ignored; Plotly auto-sizes based on renderer.
+        x_calc: object,
+        y_meas: object,
+        y_meas_su: object,
+    ) -> object:
         """
-        # Intentionally unused; accepted for API compatibility
-        del height
-        data = []
-        for idx, y in enumerate(y_series):
-            label = labels[idx]
-            trace = self._get_trace(x, y, label)
-            data.append(trace)
+        Create a Plotly trace for single crystal diffraction data.
+
+        Parameters
+        ----------
+        x_calc : object
+            1D array-like of calculated values (x-axis).
+        y_meas : object
+            1D array-like of measured values (y-axis).
+        y_meas_su : object
+            1D array-like of measurement uncertainties.
+
+        Returns
+        -------
+        object
+            A configured :class:`plotly.graph_objects.Scatter` trace
+            with markers and error bars.
+        """
+        trace = go.Scatter(
+            x=x_calc,
+            y=y_meas,
+            mode='markers',
+            marker=dict(
+                symbol='circle',
+                size=10,
+                line=dict(width=0.5),
+                color=DEFAULT_COLORS['meas'],
+            ),
+            error_y=dict(
+                type='data',
+                array=y_meas_su,
+                visible=True,
+            ),
+            hovertemplate='calc: %{x}<br>meas: %{y}<br><extra></extra>',
+        )
+
+        return trace
+
+    def _get_diagonal_shape(self) -> dict:
+        """
+        Create a diagonal reference line shape.
+
+        Returns a y=x diagonal line spanning the plot area using paper
+        coordinates (0,0) to (1,1).
+
+        Returns
+        -------
+        dict
+            A dict configuring a diagonal line shape.
+        """
+        return dict(
+            type='line',
+            x0=0,
+            y0=0,
+            x1=1,
+            y1=1,
+            xref='paper',
+            yref='paper',
+            layer='below',
+            line=dict(width=0.5),
+        )
+
+    def _get_config(self) -> dict:
+        """
+        Return the Plotly figure configuration.
+
+        Returns
+        -------
+        dict
+            A dict with display and mode bar settings.
+        """
+        return dict(
+            displaylogo=False,
+            modeBarButtonsToRemove=[
+                'select2d',
+                'lasso2d',
+                'zoomIn2d',
+                'zoomOut2d',
+                'autoScale2d',
+            ],
+        )
+
+    def _get_figure(
+        self,
+        data: object,
+        layout: object,
+    ) -> object:
+        """
+        Create and configure a Plotly figure.
+
+        Parameters
+        ----------
+        data : object
+            List of traces to include in the figure.
+        layout : object
+            Layout configuration dict.
+
+        Returns
+        -------
+        object
+            A configured :class:`plotly.graph_objects.Figure`.
+        """
+        fig = go.Figure(data=data, layout=layout)
+        # Format axis ticks:
+        # decimals for small numbers, grouped thousands for large
+        fig.update_xaxes(tickformat=',.6~g', separatethousands=True)
+        fig.update_yaxes(tickformat=',.6~g', separatethousands=True)
+        return fig
+
+    def _show_figure(
+        self,
+        fig: object,
+    ) -> None:
+        """
+        Display a Plotly figure.
+
+        Renders the figure using the appropriate method for the current
+        environment (browser for PyCharm, inline HTML for Jupyter).
+
+        Parameters
+        ----------
+        fig : object
+            A :class:`plotly.graph_objects.Figure` to display.
+        """
+        config = self._get_config()
+
+        if in_pycharm() or display is None or HTML is None:
+            fig.show(config=config)
+        else:
+            html_fig = pio.to_html(
+                fig,
+                include_plotlyjs='cdn',
+                full_html=False,
+                config=config,
+            )
+            display(HTML(html_fig))
 
-        layout = go.Layout(
+    def _get_layout(
+        self,
+        title: str,
+        axes_labels: object,
+        **kwargs: object,
+    ) -> object:
+        """
+        Create a Plotly layout configuration.
+
+        Parameters
+        ----------
+        title : str
+            Figure title.
+        axes_labels : object
+            Pair of strings for the x and y titles.
+        **kwargs : object
+            Additional layout parameters (e.g., shapes).
+
+        Returns
+        -------
+        object
+            A configured :class:`plotly.graph_objects.Layout`.
+        """
+        return go.Layout(
             margin=dict(
                 autoexpand=True,
                 r=30,
@@ -118,38 +269,145 @@ def plot(
                 mirror=True,
                 zeroline=False,
             ),
+            **kwargs,
         )
 
-        config = dict(
-            displaylogo=False,
-            modeBarButtonsToRemove=[
-                'select2d',
-                'lasso2d',
-                'zoomIn2d',
-                'zoomOut2d',
-                'autoScale2d',
-            ],
-        )
+    def plot_powder(
+        self,
+        x: object,
+        y_series: object,
+        labels: object,
+        axes_labels: object,
+        title: str,
+        height: int | None = None,
+    ) -> None:
+        """
+        Render a line plot for powder diffraction data.
 
-        fig = go.Figure(
-            data=data,
-            layout=layout,
+        Suitable for powder diffraction data where intensity is plotted
+        against an x-axis variable (2θ, TOF, d-spacing).
+
+        Parameters
+        ----------
+        x : object
+            1D array-like of x-axis values.
+        y_series : object
+            Sequence of y arrays to plot.
+        labels : object
+            Series identifiers corresponding to y_series.
+        axes_labels : object
+            Pair of strings for the x and y titles.
+        title : str
+            Figure title.
+        height : int | None, default=None
+            Ignored; Plotly auto-sizes based on renderer.
+        """
+        # Intentionally unused; accepted for API compatibility
+        del height
+
+        data = []
+        for idx, y in enumerate(y_series):
+            label = labels[idx]
+            trace = self._get_powder_trace(x, y, label)
+            data.append(trace)
+
+        layout = self._get_layout(
+            title,
+            axes_labels,
         )
 
-        # Format the axes ticks.
-        # Keeps decimals for small numbers; groups thousands for large
-        # ones
-        fig.update_xaxes(tickformat=',.6~g', separatethousands=True)
-        fig.update_yaxes(tickformat=',.6~g', separatethousands=True)
+        fig = self._get_figure(data, layout)
+        self._show_figure(fig)
 
-        # Show the figure
-        if in_pycharm() or display is None or HTML is None:
-            fig.show(config=config)
-        else:
-            html_fig = pio.to_html(
-                fig,
-                include_plotlyjs='cdn',
-                full_html=False,
-                config=config,
+    def plot_single_crystal(
+        self,
+        x_calc: object,
+        y_meas: object,
+        y_meas_su: object,
+        axes_labels: object,
+        title: str,
+        height: int | None = None,
+    ) -> None:
+        """
+        Render a scatter plot for single crystal diffraction data.
+
+        Suitable for single crystal diffraction data where measured
+        values are plotted against calculated values with error bars and
+        a diagonal reference line.
+
+        Parameters
+        ----------
+        x_calc : object
+            1D array-like of calculated values (x-axis).
+        y_meas : object
+            1D array-like of measured values (y-axis).
+        y_meas_su : object
+            1D array-like of measurement uncertainties.
+        axes_labels : object
+            Pair of strings for the x and y titles.
+        title : str
+            Figure title.
+        height : int | None, default=None
+            Ignored; Plotly auto-sizes based on renderer.
+        """
+        # Intentionally unused; accepted for API compatibility
+        del height
+
+        data = [
+            self._get_single_crystal_trace(
+                x_calc,
+                y_meas,
+                y_meas_su,
             )
-            display(HTML(html_fig))
+        ]
+
+        layout = self._get_layout(
+            title,
+            axes_labels,
+            shapes=[self._get_diagonal_shape()],
+        )
+
+        fig = self._get_figure(data, layout)
+        self._show_figure(fig)
+
+    def plot_scatter(
+        self,
+        x: object,
+        y: object,
+        sy: object,
+        axes_labels: object,
+        title: str,
+        height: int | None = None,
+    ) -> None:
+        """Render a scatter plot with error bars via Plotly."""
+        _ = height  # not used by Plotly backend
+
+        trace = go.Scatter(
+            x=x,
+            y=y,
+            mode='markers+lines',
+            marker=dict(
+                symbol='circle',
+                size=10,
+                line=dict(width=0.5),
+                color=DEFAULT_COLORS['meas'],
+            ),
+            line=dict(
+                width=1,
+                color=DEFAULT_COLORS['meas'],
+            ),
+            error_y=dict(
+                type='data',
+                array=sy,
+                visible=True,
+            ),
+            hovertemplate='x: %{x}<br>y: %{y}<br><extra></extra>',
+        )
+
+        layout = self._get_layout(
+            title,
+            axes_labels,
+        )
+
+        fig = self._get_figure(trace, layout)
+        self._show_figure(fig)
diff --git a/src/easydiffraction/display/plotting.py b/src/easydiffraction/display/plotting.py
index c0c98deb..e4b1ad34 100644
--- a/src/easydiffraction/display/plotting.py
+++ b/src/easydiffraction/display/plotting.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Plotting facade for measured and calculated patterns.
+"""
+Plotting facade for measured and calculated patterns.
 
 Uses the common :class:`RendererBase` so plotters and tablers share a
 consistent configuration surface and engine handling.
@@ -18,6 +19,8 @@
 from easydiffraction.display.plotters.base import DEFAULT_HEIGHT
 from easydiffraction.display.plotters.base import DEFAULT_MAX
 from easydiffraction.display.plotters.base import DEFAULT_MIN
+from easydiffraction.display.plotters.base import DEFAULT_X_AXIS
+from easydiffraction.display.plotters.base import XAxisType
 from easydiffraction.display.plotters.plotly import PlotlyPlotter
 from easydiffraction.display.tables import TableRenderer
 from easydiffraction.utils.environment import in_jupyter
@@ -26,6 +29,8 @@
 
 
 class PlotterEngineEnum(str, Enum):
+    """Available plotting engine backends."""
+
     ASCII = 'asciichartpy'
     PLOTLY = 'plotly'
 
@@ -50,7 +55,11 @@ def description(self) -> str:
 class Plotter(RendererBase):
     """User-facing plotting facade backed by concrete plotters."""
 
-    def __init__(self):
+    # ------------------------------------------------------------------
+    #  Private special methods
+    # ------------------------------------------------------------------
+
+    def __init__(self) -> None:
         super().__init__()
         # X-axis limits
         self._x_min = DEFAULT_MIN
@@ -58,6 +67,10 @@ def __init__(self):
         # Chart height
         self.height = DEFAULT_HEIGHT
 
+    # ------------------------------------------------------------------
+    #  Private class methods
+    # ------------------------------------------------------------------
+
     @classmethod
     def _factory(cls) -> type[RendererFactoryBase]:  # type: ignore[override]
         return PlotterFactory
@@ -66,32 +79,231 @@ def _factory(cls) -> type[RendererFactoryBase]:  # type: ignore[override]
     def _default_engine(cls) -> str:
         return PlotterEngineEnum.default().value
 
-    def show_config(self):
-        """Display the current plotting configuration."""
-        headers = [
-            ('Parameter', 'left'),
-            ('Value', 'left'),
-        ]
-        rows = [
-            ['Plotting engine', self.engine],
-            ['x-axis limits', f'[{self.x_min}, {self.x_max}]'],
-            ['Chart height', self.height],
-        ]
-        df = pd.DataFrame(rows, columns=pd.MultiIndex.from_tuples(headers))
-        console.paragraph('Current plotter configuration')
-        TableRenderer.get().render(df)
+    # ------------------------------------------------------------------
+    #  Private helper methods
+    # ------------------------------------------------------------------
+
+    def _auto_x_range_for_ascii(
+        self,
+        pattern: object,
+        x_array: object,
+        x_min: object,
+        x_max: object,
+    ) -> tuple:
+        """
+        For the ASCII engine, narrow the range around the tallest peak.
+
+        Parameters
+        ----------
+        pattern : object
+            Data pattern object (needs ``intensity_meas``).
+        x_array : object
+            Full x-axis array.
+        x_min : object
+            Current minimum (may be ``None``).
+        x_max : object
+            Current maximum (may be ``None``).
+
+        Returns
+        -------
+        tuple
+            Tuple of ``(x_min, x_max)``, possibly narrowed.
+        """
+        if self._engine == 'asciichartpy' and (x_min is None or x_max is None):
+            max_intensity_pos = np.argmax(pattern.intensity_meas)
+            half_range = 50
+            start = max(0, max_intensity_pos - half_range)
+            end = min(len(x_array) - 1, max_intensity_pos + half_range)
+            x_min = x_array[start]
+            x_max = x_array[end]
+        return x_min, x_max
+
+    def _filtered_y_array(
+        self,
+        y_array: object,
+        x_array: object,
+        x_min: object,
+        x_max: object,
+    ) -> object:
+        """
+        Filter an array by the inclusive x-range limits.
+
+        Parameters
+        ----------
+        y_array : object
+            1D array-like of y values.
+        x_array : object
+            1D array-like of x values (same length as ``y_array``).
+        x_min : object
+            Minimum x limit (or ``None`` to use default).
+        x_max : object
+            Maximum x limit (or ``None`` to use default).
+
+        Returns
+        -------
+        object
+            Filtered ``y_array`` values where ``x_array`` lies within
+            ``[x_min, x_max]``.
+        """
+        if x_min is None:
+            x_min = self.x_min
+        if x_max is None:
+            x_max = self.x_max
+
+        mask = (x_array >= x_min) & (x_array <= x_max)
+        filtered_y_array = y_array[mask]
+
+        return filtered_y_array
+
+    def _get_axes_labels(
+        self,
+        sample_form: object,
+        scattering_type: object,
+        x_axis: object,
+    ) -> list:
+        """Look up axis labels for the experiment / x-axis."""
+        return DEFAULT_AXES_LABELS[(sample_form, scattering_type, x_axis)]
+
+    def _prepare_powder_data(
+        self,
+        pattern: object,
+        expt_name: str,
+        expt_type: object,
+        x_min: object,
+        x_max: object,
+        x: object,
+        need_meas: bool = False,
+        need_calc: bool = False,
+        show_residual: bool = False,
+    ) -> dict | None:
+        """
+        Validate, resolve axes, auto-range, and filter arrays.
+
+        Parameters
+        ----------
+        pattern : object
+            Data pattern object with intensity arrays.
+        expt_name : str
+            Experiment name for error messages.
+        expt_type : object
+            Experiment type with sample_form, scattering, and beam
+            enums.
+        x_min : object
+            Optional minimum x-axis limit.
+        x_max : object
+            Optional maximum x-axis limit.
+        x : object
+            Explicit x-axis type or ``None``.
+        need_meas : bool, default=False
+            Whether ``intensity_meas`` is required.
+        need_calc : bool, default=False
+            Whether ``intensity_calc`` is required.
+        show_residual : bool, default=False
+            If ``True``, compute meas − calc residual.
+
+        Returns
+        -------
+        dict | None
+            A dict with keys ``x_filtered``, ``y_series``, ``y_labels``,
+            ``axes_labels``, and ``x_axis``; or ``None`` when a required
+            array is missing.
+        """
+        x_axis, x_name, sample_form, scattering_type, _ = self._resolve_x_axis(expt_type, x)
+
+        # Get x-array from pattern
+        x_array = getattr(pattern, x_axis, None)
+        if x_array is None:
+            log.error(f'No {x_name} data available for experiment {expt_name}')
+            return None
+
+        # Validate required intensities
+        if need_meas and pattern.intensity_meas is None:
+            log.error(f'No measured data available for experiment {expt_name}')
+            return None
+        if need_calc and pattern.intensity_calc is None:
+            log.error(f'No calculated data available for experiment {expt_name}')
+            return None
+
+        # Auto-range for ASCII engine
+        x_min, x_max = self._auto_x_range_for_ascii(pattern, x_array, x_min, x_max)
+
+        # Filter x
+        x_filtered = self._filtered_y_array(x_array, x_array, x_min, x_max)
+
+        # Filter y arrays and build series / labels
+        y_series = []
+        y_labels = []
+
+        y_meas = None
+        if need_meas:
+            y_meas = self._filtered_y_array(pattern.intensity_meas, x_array, x_min, x_max)
+            y_series.append(y_meas)
+            y_labels.append('meas')
+
+        y_calc = None
+        if need_calc:
+            y_calc = self._filtered_y_array(pattern.intensity_calc, x_array, x_min, x_max)
+            y_series.append(y_calc)
+            y_labels.append('calc')
+
+        if show_residual and y_meas is not None and y_calc is not None:
+            y_resid = y_meas - y_calc
+            y_series.append(y_resid)
+            y_labels.append('resid')
+
+        axes_labels = self._get_axes_labels(sample_form, scattering_type, x_axis)
+
+        return {
+            'x_filtered': x_filtered,
+            'y_series': y_series,
+            'y_labels': y_labels,
+            'axes_labels': axes_labels,
+            'x_axis': x_axis,
+        }
+
+    def _resolve_x_axis(self, expt_type: object, x: object) -> tuple:
+        """
+        Determine the x-axis type from experiment metadata.
+
+        Parameters
+        ----------
+        expt_type : object
+            Experiment type with sample_form, scattering_type, and
+            beam_mode enums.
+        x : object
+            Explicit x-axis type or ``None`` to auto-detect.
+
+        Returns
+        -------
+        tuple
+            Tuple of ``(x_axis, x_name, sample_form, scattering_type,
+            beam_mode)``.
+        """
+        sample_form = expt_type.sample_form.value
+        scattering_type = expt_type.scattering_type.value
+        beam_mode = expt_type.beam_mode.value
+        x_axis = DEFAULT_X_AXIS[(sample_form, scattering_type, beam_mode)] if x is None else x
+        x_name = getattr(x_axis, 'value', x_axis)
+        return x_axis, x_name, sample_form, scattering_type, beam_mode
+
+    # ------------------------------------------------------------------
+    #  Public properties
+    # ------------------------------------------------------------------
 
     @property
-    def x_min(self):
+    def x_min(self) -> float:
         """Minimum x-axis limit."""
         return self._x_min
 
     @x_min.setter
-    def x_min(self, value):
-        """Set the minimum x-axis limit.
+    def x_min(self, value: object) -> None:
+        """
+        Set the minimum x-axis limit.
 
-        Args:
-            value: Minimum limit or ``None`` to reset to default.
+        Parameters
+        ----------
+        value : object
+            Minimum limit or ``None`` to reset to default.
         """
         if value is not None:
             self._x_min = value
@@ -99,16 +311,19 @@ def x_min(self, value):
             self._x_min = DEFAULT_MIN
 
     @property
-    def x_max(self):
+    def x_max(self) -> float:
         """Maximum x-axis limit."""
         return self._x_max
 
     @x_max.setter
-    def x_max(self, value):
-        """Set the maximum x-axis limit.
+    def x_max(self, value: object) -> None:
+        """
+        Set the maximum x-axis limit.
 
-        Args:
-            value: Maximum limit or ``None`` to reset to default.
+        Parameters
+        ----------
+        value : object
+            Maximum limit or ``None`` to reset to default.
         """
         if value is not None:
             self._x_max = value
@@ -116,311 +331,344 @@ def x_max(self, value):
             self._x_max = DEFAULT_MAX
 
     @property
-    def height(self):
+    def height(self) -> int:
         """Plot height (rows for ASCII, pixels for Plotly)."""
         return self._height
 
     @height.setter
-    def height(self, value):
-        """Set plot height.
+    def height(self, value: object) -> None:
+        """
+        Set plot height.
 
-        Args:
-            value: Height value or ``None`` to reset to default.
+        Parameters
+        ----------
+        value : object
+            Height value or ``None`` to reset to default.
         """
         if value is not None:
             self._height = value
         else:
             self._height = DEFAULT_HEIGHT
 
+    # ------------------------------------------------------------------
+    #  Public methods
+    # ------------------------------------------------------------------
+
+    def show_config(self) -> None:
+        """Display the current plotting configuration."""
+        headers = [
+            ('Parameter', 'left'),
+            ('Value', 'left'),
+        ]
+        rows = [
+            ['Plotting engine', self.engine],
+            ['x-axis limits', f'[{self.x_min}, {self.x_max}]'],
+            ['Chart height', self.height],
+        ]
+        df = pd.DataFrame(rows, columns=pd.MultiIndex.from_tuples(headers))
+        console.paragraph('Current plotter configuration')
+        TableRenderer.get().render(df)
+
     def plot_meas(
         self,
-        pattern,
-        expt_name,
-        expt_type,
-        x_min=None,
-        x_max=None,
-        d_spacing=False,
-    ):
-        """Plot measured pattern using the current engine.
-
-        Args:
-            pattern: Object with ``x`` and ``meas`` arrays (and
-                ``d`` when ``d_spacing`` is true).
-            expt_name: Experiment name for the title.
-            expt_type: Experiment type with scattering/beam enums.
-            x_min: Optional minimum x-axis limit.
-            x_max: Optional maximum x-axis limit.
-            d_spacing: If ``True``, plot against d-spacing values.
+        pattern: object,
+        expt_name: str,
+        expt_type: object,
+        x_min: object = None,
+        x_max: object = None,
+        x: object = None,
+    ) -> None:
         """
-        if pattern.x is None:
-            log.error(f'No data available for experiment {expt_name}')
-            return
-        if pattern.meas is None:
-            log.error(f'No measured data available for experiment {expt_name}')
-            return
-
-        # Select x-axis data based on d-spacing or original x values
-        x_array = pattern.d if d_spacing else pattern.x
-
-        # For asciichartpy, if x_min or x_max is not provided, center
-        # around the maximum intensity peak
-        if self._engine == 'asciichartpy' and (x_min is None or x_max is None):
-            max_intensity_pos = np.argmax(pattern.meas)
-            half_range = 50
-            start = max(0, max_intensity_pos - half_range)
-            end = min(len(x_array) - 1, max_intensity_pos + half_range)
-            x_min = x_array[start]
-            x_max = x_array[end]
-
-        # Filter x, y_meas, and y_calc based on x_min and x_max
-        x = self._filtered_y_array(
-            y_array=x_array,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
-        )
-        y_meas = self._filtered_y_array(
-            y_array=pattern.meas,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
+        Plot measured pattern using the current engine.
+
+        Parameters
+        ----------
+        pattern : object
+            Object with x-axis arrays (``two_theta``,
+            ``time_of_flight``, ``d_spacing``) and ``meas`` array.
+        expt_name : str
+            Experiment name for the title.
+        expt_type : object
+            Experiment type with scattering/beam enums.
+        x_min : object, default=None
+            Optional minimum x-axis limit.
+        x_max : object, default=None
+            Optional maximum x-axis limit.
+        x : object, default=None
+            X-axis type (``'two_theta'``, ``'time_of_flight'``, or
+            ``'d_spacing'``). If ``None``, auto-detected from beam mode.
+        """
+        ctx = self._prepare_powder_data(
+            pattern,
+            expt_name,
+            expt_type,
+            x_min,
+            x_max,
+            x,
+            need_meas=True,
         )
+        if ctx is None:
+            return
 
-        y_series = [y_meas]
-        y_labels = ['meas']
-
-        if d_spacing:
-            axes_labels = DEFAULT_AXES_LABELS[
-                (
-                    expt_type.scattering_type.value,
-                    'd-spacing',
-                )
-            ]
-        else:
-            axes_labels = DEFAULT_AXES_LABELS[
-                (
-                    expt_type.scattering_type.value,
-                    expt_type.beam_mode.value,
-                )
-            ]
-
-        # TODO: Before, it was self._plotter.plot. Check what is better.
-        self._backend.plot(
-            x=x,
-            y_series=y_series,
-            labels=y_labels,
-            axes_labels=axes_labels,
+        self._backend.plot_powder(
+            x=ctx['x_filtered'],
+            y_series=ctx['y_series'],
+            labels=ctx['y_labels'],
+            axes_labels=ctx['axes_labels'],
             title=f"Measured data for experiment 🔬 '{expt_name}'",
             height=self.height,
         )
 
     def plot_calc(
         self,
-        pattern,
-        expt_name,
-        expt_type,
-        x_min=None,
-        x_max=None,
-        d_spacing=False,
-    ):
-        """Plot calculated pattern using the current engine.
-
-        Args:
-            pattern: Object with ``x`` and ``calc`` arrays (and
-                ``d`` when ``d_spacing`` is true).
-            expt_name: Experiment name for the title.
-            expt_type: Experiment type with scattering/beam enums.
-            x_min: Optional minimum x-axis limit.
-            x_max: Optional maximum x-axis limit.
-            d_spacing: If ``True``, plot against d-spacing values.
+        pattern: object,
+        expt_name: str,
+        expt_type: object,
+        x_min: object = None,
+        x_max: object = None,
+        x: object = None,
+    ) -> None:
         """
-        if pattern.x is None:
-            log.error(f'No data available for experiment {expt_name}')
-            return
-        if pattern.calc is None:
-            log.error(f'No calculated data available for experiment {expt_name}')
-            return
-
-        # Select x-axis data based on d-spacing or original x values
-        x_array = pattern.d if d_spacing else pattern.x
-
-        # For asciichartpy, if x_min or x_max is not provided, center
-        # around the maximum intensity peak
-        if self._engine == 'asciichartpy' and (x_min is None or x_max is None):
-            max_intensity_pos = np.argmax(pattern.meas)
-            half_range = 50
-            start = max(0, max_intensity_pos - half_range)
-            end = min(len(x_array) - 1, max_intensity_pos + half_range)
-            x_min = x_array[start]
-            x_max = x_array[end]
-
-        # Filter x, y_meas, and y_calc based on x_min and x_max
-        x = self._filtered_y_array(
-            y_array=x_array,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
-        )
-        y_calc = self._filtered_y_array(
-            y_array=pattern.calc,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
+        Plot calculated pattern using the current engine.
+
+        Parameters
+        ----------
+        pattern : object
+            Object with x-axis arrays (``two_theta``,
+            ``time_of_flight``, ``d_spacing``) and ``calc`` array.
+        expt_name : str
+            Experiment name for the title.
+        expt_type : object
+            Experiment type with scattering/beam enums.
+        x_min : object, default=None
+            Optional minimum x-axis limit.
+        x_max : object, default=None
+            Optional maximum x-axis limit.
+        x : object, default=None
+            X-axis type (``'two_theta'``, ``'time_of_flight'``, or
+            ``'d_spacing'``). If ``None``, auto-detected from beam mode.
+        """
+        ctx = self._prepare_powder_data(
+            pattern,
+            expt_name,
+            expt_type,
+            x_min,
+            x_max,
+            x,
+            need_calc=True,
         )
+        if ctx is None:
+            return
 
-        y_series = [y_calc]
-        y_labels = ['calc']
-
-        if d_spacing:
-            axes_labels = DEFAULT_AXES_LABELS[
-                (
-                    expt_type.scattering_type.value,
-                    'd-spacing',
-                )
-            ]
-        else:
-            axes_labels = DEFAULT_AXES_LABELS[
-                (
-                    expt_type.scattering_type.value,
-                    expt_type.beam_mode.value,
-                )
-            ]
-
-        self._backend.plot(
-            x=x,
-            y_series=y_series,
-            labels=y_labels,
-            axes_labels=axes_labels,
+        self._backend.plot_powder(
+            x=ctx['x_filtered'],
+            y_series=ctx['y_series'],
+            labels=ctx['y_labels'],
+            axes_labels=ctx['axes_labels'],
             title=f"Calculated data for experiment 🔬 '{expt_name}'",
             height=self.height,
         )
 
     def plot_meas_vs_calc(
         self,
-        pattern,
-        expt_name,
-        expt_type,
-        x_min=None,
-        x_max=None,
-        show_residual=False,
-        d_spacing=False,
-    ):
-        """Plot measured and calculated series and optional residual.
-
-        Args:
-            pattern: Object with ``x``, ``meas`` and ``calc`` arrays
-                (and ``d`` when ``d_spacing`` is true).
-            expt_name: Experiment name for the title.
-            expt_type: Experiment type with scattering/beam enums.
-            x_min: Optional minimum x-axis limit.
-            x_max: Optional maximum x-axis limit.
-            show_residual: If ``True``, add residual series.
-            d_spacing: If ``True``, plot against d-spacing values.
+        pattern: object,
+        expt_name: str,
+        expt_type: object,
+        x_min: object = None,
+        x_max: object = None,
+        show_residual: bool = False,
+        x: object = None,
+    ) -> None:
         """
-        if pattern.x is None:
-            log.error(f'No data available for experiment {expt_name}')
-            return
-        if pattern.meas is None:
+        Plot measured and calculated series and optional residual.
+
+        Supports both powder and single crystal data with a unified API.
+
+        For powder diffraction: - x='two_theta', 'time_of_flight', or
+        'd_spacing' - Auto-detected from beam mode if not specified
+
+        For single crystal diffraction: - x='intensity_calc' (default):
+        scatter plot - x='d_spacing' or 'sin_theta_over_lambda': line
+        plot
+
+        Parameters
+        ----------
+        pattern : object
+            Data pattern object with meas/calc arrays.
+        expt_name : str
+            Experiment name for the title.
+        expt_type : object
+            Experiment type with sample_form, scattering, and beam
+            enums.
+        x_min : object, default=None
+            Optional minimum x-axis limit.
+        x_max : object, default=None
+            Optional maximum x-axis limit.
+        show_residual : bool, default=False
+            If ``True``, add residual series (powder only).
+        x : object, default=None
+            X-axis type. If ``None``, auto-detected from sample form and
+            beam mode.
+        """
+        x_axis, _, sample_form, scattering_type, _ = self._resolve_x_axis(expt_type, x)
+
+        # Validate required data (before x-array check, matching
+        # original behavior for plot_meas_vs_calc)
+        if pattern.intensity_meas is None:
             log.error(f'No measured data available for experiment {expt_name}')
             return
-        if pattern.calc is None:
+        if pattern.intensity_calc is None:
             log.error(f'No calculated data available for experiment {expt_name}')
             return
 
-        # Select x-axis data based on d-spacing or original x values
-        x_array = pattern.d if d_spacing else pattern.x
-
-        # For asciichartpy, if x_min or x_max is not provided, center
-        # around the maximum intensity peak
-        if self._engine == 'asciichartpy' and (x_min is None or x_max is None):
-            max_intensity_pos = np.argmax(pattern.meas)
-            half_range = 50
-            start = max(0, max_intensity_pos - half_range)
-            end = min(len(x_array) - 1, max_intensity_pos + half_range)
-            x_min = x_array[start]
-            x_max = x_array[end]
+        title = f"Measured vs Calculated data for experiment 🔬 '{expt_name}'"
+
+        # Single crystal scatter plot (I²calc vs I²meas)
+        if x_axis == XAxisType.INTENSITY_CALC or x_axis == 'intensity_calc':
+            axes_labels = self._get_axes_labels(sample_form, scattering_type, x_axis)
+
+            if pattern.intensity_meas_su is None:
+                log.warning(f'No measurement uncertainties for experiment {expt_name}')
+                meas_su = np.zeros_like(pattern.intensity_meas)
+            else:
+                meas_su = pattern.intensity_meas_su
+
+            self._backend.plot_single_crystal(
+                x_calc=pattern.intensity_calc,
+                y_meas=pattern.intensity_meas,
+                y_meas_su=meas_su,
+                axes_labels=axes_labels,
+                title=f"Measured vs Calculated data for experiment 🔬 '{expt_name}'",
+                height=self.height,
+            )
+            return
 
-        # Filter x, y_meas, and y_calc based on x_min and x_max
-        x = self._filtered_y_array(
-            y_array=x_array,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
-        )
-        y_meas = self._filtered_y_array(
-            y_array=pattern.meas,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
-        )
-        y_calc = self._filtered_y_array(
-            y_array=pattern.calc,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
+        # Line plot (PD or SC with d_spacing/sin_theta_over_lambda)
+        # TODO: Rename from _prepare_powder_data as it also supports
+        #  single crystal line plots
+        ctx = self._prepare_powder_data(
+            pattern,
+            expt_name,
+            expt_type,
+            x_min,
+            x_max,
+            x,
+            need_meas=True,
+            need_calc=True,
+            show_residual=show_residual,
         )
+        if ctx is None:
+            return
 
-        y_series = [y_meas, y_calc]
-        y_labels = ['meas', 'calc']
-
-        if d_spacing:
-            axes_labels = DEFAULT_AXES_LABELS[
-                (
-                    expt_type.scattering_type.value,
-                    'd-spacing',
-                )
-            ]
-        else:
-            axes_labels = DEFAULT_AXES_LABELS[
-                (
-                    expt_type.scattering_type.value,
-                    expt_type.beam_mode.value,
-                )
-            ]
-
-        if show_residual:
-            y_resid = y_meas - y_calc
-            y_series.append(y_resid)
-            y_labels.append('resid')
+        self._backend.plot_powder(
+            x=ctx['x_filtered'],
+            y_series=ctx['y_series'],
+            labels=ctx['y_labels'],
+            axes_labels=ctx['axes_labels'],
+            title=title,
+            height=self.height,
+        )
 
-        self._backend.plot(
+    def plot_param_series(
+        self,
+        unique_name: str,
+        versus_name: str | None,
+        experiments: object,
+        parameter_snapshots: dict[str, dict[str, dict]],
+    ) -> None:
+        """
+        Plot a parameter's value across sequential fit results.
+
+        Parameters
+        ----------
+        unique_name : str
+            Unique name of the parameter to plot.
+        versus_name : str | None
+            Name of the diffrn descriptor to use as the x-axis (e.g.
+            ``'ambient_temperature'``).  When ``None``, the experiment
+            sequence index is used instead.
+        experiments : object
+            Experiments collection for accessing diffrn conditions.
+        parameter_snapshots : dict[str, dict[str, dict]]
+            Per-experiment parameter value snapshots keyed by experiment
+            name, then by parameter unique name.
+        """
+        x = []
+        y = []
+        sy = []
+        axes_labels = []
+        title = ''
+
+        for idx, expt_name in enumerate(parameter_snapshots, start=1):
+            experiment = experiments[expt_name]
+            diffrn = experiment.diffrn
+
+            x_axis_param = self._resolve_diffrn_descriptor(diffrn, versus_name)
+
+            if x_axis_param is not None and x_axis_param.value is not None:
+                value = x_axis_param.value
+            else:
+                value = idx
+            x.append(value)
+
+            param_data = parameter_snapshots[expt_name][unique_name]
+            y.append(param_data['value'])
+            sy.append(param_data['uncertainty'])
+
+            if x_axis_param is not None:
+                axes_labels = [
+                    x_axis_param.description or x_axis_param.name,
+                    f'Parameter value ({param_data["units"]})',
+                ]
+            else:
+                axes_labels = [
+                    'Experiment No.',
+                    f'Parameter value ({param_data["units"]})',
+                ]
+
+            title = f"Parameter '{unique_name}' across fit results"
+
+        self._backend.plot_scatter(
             x=x,
-            y_series=y_series,
-            labels=y_labels,
+            y=y,
+            sy=sy,
             axes_labels=axes_labels,
-            title=f"Measured vs Calculated data for experiment 🔬 '{expt_name}'",
+            title=title,
             height=self.height,
         )
 
-    def _filtered_y_array(
-        self,
-        y_array,
-        x_array,
-        x_min,
-        x_max,
-    ):
-        """Filter an array by the inclusive x-range limits.
-
-        Args:
-            y_array: 1D array-like of y values.
-            x_array: 1D array-like of x values (same length as
-                ``y_array``).
-            x_min: Minimum x limit (or ``None`` to use default).
-            x_max: Maximum x limit (or ``None`` to use default).
-
-        Returns:
-            Filtered ``y_array`` values where ``x_array`` lies within
-            ``[x_min, x_max]``.
+    @staticmethod
+    def _resolve_diffrn_descriptor(
+        diffrn: object,
+        name: str | None,
+    ) -> object | None:
         """
-        if x_min is None:
-            x_min = self.x_min
-        if x_max is None:
-            x_max = self.x_max
-
-        mask = (x_array >= x_min) & (x_array <= x_max)
-        filtered_y_array = y_array[mask]
-
-        return filtered_y_array
+        Return the diffrn descriptor matching *name*, or ``None``.
+
+        Parameters
+        ----------
+        diffrn : object
+            The diffrn category of an experiment.
+        name : str | None
+            Descriptor name (e.g. ``'ambient_temperature'``).
+
+        Returns
+        -------
+        object | None
+            The matching ``NumericDescriptor``, or ``None`` when *name*
+            is ``None`` or unrecognised.
+        """
+        if name is None:
+            return None
+        if name == 'ambient_temperature':
+            return diffrn.ambient_temperature
+        if name == 'ambient_pressure':
+            return diffrn.ambient_pressure
+        if name == 'ambient_magnetic_field':
+            return diffrn.ambient_magnetic_field
+        if name == 'ambient_electric_field':
+            return diffrn.ambient_electric_field
+        return None
 
 
 class PlotterFactory(RendererFactoryBase):
diff --git a/src/easydiffraction/display/tablers/__init__.py b/src/easydiffraction/display/tablers/__init__.py
index 93d84417..6471fbff 100644
--- a/src/easydiffraction/display/tablers/__init__.py
+++ b/src/easydiffraction/display/tablers/__init__.py
@@ -1,10 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Tabular rendering backends.
+"""
+Tabular rendering backends.
 
-This subpackage provides concrete implementations for rendering
-tables in different environments:
+This subpackage provides concrete implementations for rendering tables
+in different environments:
 
-- :mod:`.rich` for terminal and notebooks using the Rich library.
-- :mod:`.pandas` for notebooks using DataFrame Styler.
+- :mod:`.rich` for terminal and notebooks using the Rich library. -
+:mod:`.pandas` for notebooks using DataFrame Styler.
 """
diff --git a/src/easydiffraction/display/tablers/base.py b/src/easydiffraction/display/tablers/base.py
index 2b710d8f..869c5a17 100644
--- a/src/easydiffraction/display/tablers/base.py
+++ b/src/easydiffraction/display/tablers/base.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Low-level backends for rendering tables.
+"""
+Low-level backends for rendering tables.
 
 This module defines the abstract base for tabular renderers and small
 helpers for consistent styling across terminal and notebook outputs.
@@ -10,7 +11,6 @@
 
 from abc import ABC
 from abc import abstractmethod
-from typing import Any
 
 from IPython import get_ipython
 from rich.color import Color
@@ -19,11 +19,11 @@
 
 
 class TableBackendBase(ABC):
-    """Abstract base class for concrete table backends.
+    """
+    Abstract base class for concrete table backends.
 
-    Subclasses implement the ``render`` method which receives an
-    index-aware pandas DataFrame and the alignment for each column
-    header.
+    Subclasses implement the ``render`` method which receives an index-
+    aware pandas DataFrame and the alignment for each column header.
     """
 
     FLOAT_PRECISION = 5
@@ -34,20 +34,26 @@ def __init__(self) -> None:
         super().__init__()
         self._float_fmt = f'{{:.{self.FLOAT_PRECISION}f}}'.format
 
-    def _format_value(self, value: Any) -> Any:
-        """Format floats with fixed precision and others as strings.
+    def _format_value(self, value: object) -> object:
+        """
+        Format floats with fixed precision and others as strings.
 
-        Args:
-            value: Cell value to format.
+        Parameters
+        ----------
+        value : object
+            Cell value to format.
 
-        Returns:
+        Returns
+        -------
+        object
             A string representation with fixed precision for floats or
             ``str(value)`` for other types.
         """
         return self._float_fmt(value) if isinstance(value, float) else str(value)
 
     def _is_dark_theme(self) -> bool:
-        """Return True when a dark theme is detected in Jupyter.
+        """
+        Return True when a dark theme is detected in Jupyter.
 
         If not running inside Jupyter, return a sane default (True).
         """
@@ -62,14 +68,18 @@ def _is_dark_theme(self) -> bool:
 
         return is_dark()
 
-    def _rich_to_hex(self, color):
-        """Convert a Rich color name to a CSS-style hex string.
+    def _rich_to_hex(self, color: str) -> str:
+        """
+        Convert a Rich color name to a CSS-style hex string.
 
-        Args:
-            color: Rich color name or specification parsable by
-                :mod:`rich`.
+        Parameters
+        ----------
+        color : str
+            Rich color name or specification parsable by :mod:`rich`.
 
-        Returns:
+        Returns
+        -------
+        str
             Hex color string in the form ``#RRGGBB``.
         """
         c = Color.parse(color)
@@ -90,21 +100,27 @@ def _pandas_border_color(self) -> str:
     @abstractmethod
     def render(
         self,
-        alignments,
-        df,
-        display_handle: Any | None = None,
-    ) -> Any:
-        """Render the provided DataFrame with backend-specific styling.
-
-        Args:
-            alignments: Iterable of column justifications (e.g.,
-                ``'left'`` or ``'center'``) corresponding to the data
-                columns.
-            df: Index-aware DataFrame with data to render.
-            display_handle: Optional environment-specific handle to
-                enable in-place updates.
-
-        Returns:
+        alignments: object,
+        df: object,
+        display_handle: object | None = None,
+    ) -> object:
+        """
+        Render the provided DataFrame with backend-specific styling.
+
+        Parameters
+        ----------
+        alignments : object
+            Iterable of column justifications (e.g., ``'left'`` or
+            ``'center'``) corresponding to the data columns.
+        df : object
+            Index-aware DataFrame with data to render.
+        display_handle : object | None, default=None
+            Optional environment-specific handle to enable in-place
+            updates.
+
+        Returns
+        -------
+        object
             Backend-defined return value (commonly ``None``).
         """
         pass
diff --git a/src/easydiffraction/display/tablers/pandas.py b/src/easydiffraction/display/tablers/pandas.py
index da05b5e8..4efef148 100644
--- a/src/easydiffraction/display/tablers/pandas.py
+++ b/src/easydiffraction/display/tablers/pandas.py
@@ -1,11 +1,9 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Pandas-based table renderer for notebooks using DataFrame Styler."""
 
 from __future__ import annotations
 
-from typing import Any
-
 try:
     from IPython.display import HTML
     from IPython.display import display
@@ -22,13 +20,18 @@ class PandasTableBackend(TableBackendBase):
     """Render tables using the pandas Styler in Jupyter environments."""
 
     def _build_base_styles(self, color: str) -> list[dict]:
-        """Return base CSS table styles for a given border color.
+        """
+        Return base CSS table styles for a given border color.
 
-        Args:
-            color: CSS color value (e.g., ``#RRGGBB``) to use for
-                borders and header accents.
+        Parameters
+        ----------
+        color : str
+            CSS color value (e.g., ``#RRGGBB``) to use for borders and
+            header accents.
 
-        Returns:
+        Returns
+        -------
+        list[dict]
             A list of ``Styler.set_table_styles`` dictionaries.
         """
         return [
@@ -76,15 +79,21 @@ def _build_base_styles(self, color: str) -> list[dict]:
             },
         ]
 
-    def _build_header_alignment_styles(self, df, alignments) -> list[dict]:
-        """Generate header cell alignment styles per column.
-
-        Args:
-            df: DataFrame whose columns are being rendered.
-            alignments: Iterable of text alignment values (e.g.,
-                ``'left'``, ``'center'``) matching ``df`` columns.
-
-        Returns:
+    def _build_header_alignment_styles(self, df: object, alignments: object) -> list[dict]:
+        """
+        Generate header cell alignment styles per column.
+
+        Parameters
+        ----------
+        df : object
+            DataFrame whose columns are being rendered.
+        alignments : object
+            Iterable of text alignment values (e.g., ``'left'``,
+            ``'center'``) matching ``df`` columns.
+
+        Returns
+        -------
+        list[dict]
             A list of CSS rules for header cell alignment.
         """
         return [
@@ -95,15 +104,22 @@ def _build_header_alignment_styles(self, df, alignments) -> list[dict]:
             for column, align in zip(df.columns, alignments, strict=False)
         ]
 
-    def _apply_styling(self, df, alignments, color: str):
-        """Build a configured Styler with alignments and base styles.
-
-        Args:
-            df: DataFrame to style.
-            alignments: Iterable of text alignment values for columns.
-            color: CSS color value used for borders/header.
-
-        Returns:
+    def _apply_styling(self, df: object, alignments: object, color: str) -> object:
+        """
+        Build a configured Styler with alignments and base styles.
+
+        Parameters
+        ----------
+        df : object
+            DataFrame to style.
+        alignments : object
+            Iterable of text alignment values for columns.
+        color : str
+            CSS color value used for borders/header.
+
+        Returns
+        -------
+        object
             A configured pandas Styler ready for display.
         """
         table_styles = self._build_base_styles(color)
@@ -120,17 +136,20 @@ def _apply_styling(self, df, alignments, color: str):
             )
         return styler
 
-    def _update_display(self, styler, display_handle) -> None:
-        """Single, consistent update path for Jupyter.
+    def _update_display(self, styler: object, display_handle: object) -> None:
+        """
+        Single, consistent update path for Jupyter.
 
         If a handle with ``update()`` is provided and it's a
         DisplayHandle, update the output area in-place using HTML.
         Otherwise, display once via IPython ``display()``.
 
-        Args:
-            styler: Configured DataFrame Styler to be rendered.
-            display_handle: Optional IPython DisplayHandle used for
-                in-place updates.
+        Parameters
+        ----------
+        styler : object
+            Configured DataFrame Styler to be rendered.
+        display_handle : object
+            Optional IPython DisplayHandle used for in-place updates.
         """
         # Handle with update() method
         if display_handle is not None and hasattr(display_handle, 'update'):
@@ -152,17 +171,27 @@ def _update_display(self, styler, display_handle) -> None:
 
     def render(
         self,
-        alignments,
-        df,
-        display_handle: Any | None = None,
-    ) -> Any:
-        """Render a styled DataFrame.
-
-        Args:
-            alignments: Iterable of column justifications (e.g. 'left').
-            df: DataFrame whose index is displayed as the first column.
-            display_handle: Optional IPython DisplayHandle to update an
-                existing output area in place when running in Jupyter.
+        alignments: object,
+        df: object,
+        display_handle: object | None = None,
+    ) -> object:
+        """
+        Render a styled DataFrame.
+
+        Parameters
+        ----------
+        alignments : object
+            Iterable of column justifications (e.g. 'left').
+        df : object
+            DataFrame whose index is displayed as the first column.
+        display_handle : object | None, default=None
+            Optional IPython DisplayHandle to update an existing output
+            area in place when running in Jupyter.
+
+        Returns
+        -------
+        object
+            Backend-defined return value (commonly ``None``).
         """
         color = self._pandas_border_color
         styler = self._apply_styling(df, alignments, color)
diff --git a/src/easydiffraction/display/tablers/rich.py b/src/easydiffraction/display/tablers/rich.py
index e7a8afbb..fba2a400 100644
--- a/src/easydiffraction/display/tablers/rich.py
+++ b/src/easydiffraction/display/tablers/rich.py
@@ -1,11 +1,10 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Rich-based table renderer for terminals and notebooks."""
 
 from __future__ import annotations
 
 import io
-from typing import Any
 
 from rich.box import Box
 from rich.console import Console
@@ -41,16 +40,20 @@ class RichTableBackend(TableBackendBase):
     """Render tables to terminal or Jupyter using the Rich library."""
 
     def _to_html(self, table: Table) -> str:
-        """Render a Rich table to HTML using an off-screen console.
+        """
+        Render a Rich table to HTML using an off-screen console.
 
-        A fresh ``Console(record=True, file=StringIO())`` avoids
-        private attribute access and guarantees no visible output
-        in notebooks.
+        A fresh ``Console(record=True, file=StringIO())`` avoids private
+        attribute access and guarantees no visible output in notebooks.
 
-        Args:
-            table: Rich :class:`~rich.table.Table` to export.
+        Parameters
+        ----------
+        table : Table
+            Rich :class:`~rich.table.Table` to export.
 
-        Returns:
+        Returns
+        -------
+        str
             HTML string with inline styles for notebook display.
         """
         tmp = Console(force_jupyter=False, record=True, file=io.StringIO())
@@ -63,15 +66,22 @@ def _to_html(self, table: Table) -> str:
         )
         return html
 
-    def _build_table(self, df, alignments, color: str) -> Table:
-        """Construct a Rich Table with formatted data and alignment.
-
-        Args:
-            df: DataFrame-like object providing rows to render.
-            alignments: Iterable of text alignment values for columns.
-            color: Rich color name used for borders/index style.
-
-        Returns:
+    def _build_table(self, df: object, alignments: object, color: str) -> Table:
+        """
+        Construct a Rich Table with formatted data and alignment.
+
+        Parameters
+        ----------
+        df : object
+            DataFrame-like object providing rows to render.
+        alignments : object
+            Iterable of text alignment values for columns.
+        color : str
+            Rich color name used for borders/index style.
+
+        Returns
+        -------
+        Table
             A :class:`~rich.table.Table` configured for display.
         """
         table = Table(
@@ -96,20 +106,23 @@ def _build_table(self, df, alignments, color: str) -> Table:
 
         return table
 
-    def _update_display(self, table: Table, display_handle) -> None:
-        """Single, consistent update path for Jupyter and terminal.
-
-        - With a handle that has ``update()``:
-          * If it's an IPython DisplayHandle, export to HTML and
-            update.
-          * Otherwise, treat it as a terminal/live-like handle and
-            update with the Rich renderable.
-        - Without a handle, print once to the shared console.
-
-        Args:
-            table: Rich :class:`~rich.table.Table` to display.
-            display_handle: Optional environment-specific handle for
-                in-place updates (IPython or terminal live).
+    def _update_display(self, table: Table, display_handle: object) -> None:
+        """
+        Single, consistent update path for Jupyter and terminal.
+
+        - With a handle that has ``update()``: * If it's an IPython
+        DisplayHandle, export to HTML and update. * Otherwise, treat it
+        as a terminal/live-like handle and update with the Rich
+        renderable. - Without a handle, print once to the shared
+        console.
+
+        Parameters
+        ----------
+        table : Table
+            Rich :class:`~rich.table.Table` to display.
+        display_handle : object
+            Optional environment-specific handle for in- place updates
+            (IPython or terminal live).
         """
         # Handle with update() method
         if display_handle is not None and hasattr(display_handle, 'update'):
@@ -136,17 +149,26 @@ def _update_display(self, table: Table, display_handle) -> None:
 
     def render(
         self,
-        alignments,
-        df,
-        display_handle=None,
-    ) -> Any:
-        """Render a styled table using Rich.
-
-        Args:
-            alignments: Iterable of text-align values for columns.
-            df: Index-aware DataFrame to render.
-            display_handle: Optional environment handle for in-place
-                updates.
+        alignments: object,
+        df: object,
+        display_handle: object = None,
+    ) -> object:
+        """
+        Render a styled table using Rich.
+
+        Parameters
+        ----------
+        alignments : object
+            Iterable of text-align values for columns.
+        df : object
+            Index-aware DataFrame to render.
+        display_handle : object, default=None
+            Optional environment handle for in-place updates.
+
+        Returns
+        -------
+        object
+            Backend-defined return value (commonly ``None``).
         """
         color = self._rich_border_color
         table = self._build_table(df, alignments, color)
diff --git a/src/easydiffraction/display/tables.py b/src/easydiffraction/display/tables.py
index e149609d..1ae39594 100644
--- a/src/easydiffraction/display/tables.py
+++ b/src/easydiffraction/display/tables.py
@@ -1,11 +1,10 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Table rendering engines: console (Rich) and Jupyter (pandas)."""
 
 from __future__ import annotations
 
 from enum import Enum
-from typing import Any
 
 import pandas as pd
 
@@ -19,12 +18,15 @@
 
 
 class TableEngineEnum(str, Enum):
+    """Available table rendering backends."""
+
     RICH = 'rich'
     PANDAS = 'pandas'
 
     @classmethod
     def default(cls) -> 'TableEngineEnum':
-        """Select default engine based on environment.
+        """
+        Select default engine based on environment.
 
         Returns Pandas when running in Jupyter, otherwise Rich.
         """
@@ -35,6 +37,14 @@ def default(cls) -> 'TableEngineEnum':
         return cls.RICH
 
     def description(self) -> str:
+        """
+        Return a human-readable description of this table engine.
+
+        Returns
+        -------
+        str
+            Description string for the current enum member.
+        """
         if self is TableEngineEnum.RICH:
             return 'Console rendering with Rich'
         elif self is TableEngineEnum.PANDAS:
@@ -65,17 +75,23 @@ def show_config(self) -> None:
         console.paragraph('Current tabler configuration')
         TableRenderer.get().render(df)
 
-    def render(self, df, display_handle: Any | None = None) -> Any:
-        """Render a DataFrame as a table using the active backend.
-
-        Args:
-            df: DataFrame with a two-level column index where the
-                second level provides per-column alignment.
-            display_handle: Optional environment-specific handle used
-                to update an existing output area in-place (e.g., an
-                IPython DisplayHandle or a terminal live handle).
-
-        Returns:
+    def render(self, df: object, display_handle: object | None = None) -> object:
+        """
+        Render a DataFrame as a table using the active backend.
+
+        Parameters
+        ----------
+        df : object
+            DataFrame with a two-level column index where the second
+            level provides per-column alignment.
+        display_handle : object | None, default=None
+            Optional environment-specific handle used to update an
+            existing output area in-place (e.g., an IPython
+            DisplayHandle or a terminal live handle).
+
+        Returns
+        -------
+        object
             Backend-specific return value (usually ``None``).
         """
         # Work on a copy to avoid mutating the original DataFrame
@@ -98,11 +114,11 @@ class TableRendererFactory(RendererFactoryBase):
 
     @classmethod
     def _registry(cls) -> dict:
-        """Build registry, adapting available engines to the
-        environment.
+        """
+        Build registry, adapting available engines to the environment.
 
-        - In Jupyter: expose both 'rich' and 'pandas'.
-        - In terminal: expose only 'rich' (pandas is notebook-only).
+        - In Jupyter: expose both 'rich' and 'pandas'. - In terminal:
+        expose only 'rich' (pandas is notebook-only).
         """
         base = {
             TableEngineEnum.RICH.value: {
diff --git a/src/easydiffraction/display/utils.py b/src/easydiffraction/display/utils.py
index 8c06f384..17c6fa94 100644
--- a/src/easydiffraction/display/utils.py
+++ b/src/easydiffraction/display/utils.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
@@ -18,9 +18,7 @@
 
 
 class JupyterScrollManager:
-    """Ensures that Jupyter output cells are not scrollable (applied
-    once).
-    """
+    """Ensures Jupyter output cells are not scrollable (once)."""
 
     _applied: ClassVar[bool] = False
 
diff --git a/src/easydiffraction/experiments/__init__.py b/src/easydiffraction/experiments/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/experiments/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/experiments/categories/__init__.py b/src/easydiffraction/experiments/categories/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/experiments/categories/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/experiments/categories/background/__init__.py b/src/easydiffraction/experiments/categories/background/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/experiments/categories/background/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/experiments/categories/background/factory.py b/src/easydiffraction/experiments/categories/background/factory.py
deleted file mode 100644
index 716260f4..00000000
--- a/src/easydiffraction/experiments/categories/background/factory.py
+++ /dev/null
@@ -1,66 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Background collection entry point (public facade).
-
-End users should import Background classes from this module. Internals
-live under the package
-`easydiffraction.experiments.category_collections.background_types`
-and are re-exported here for a stable and readable API.
-"""
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-from typing import Optional
-
-from easydiffraction.experiments.categories.background.enums import BackgroundTypeEnum
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.background import BackgroundBase
-
-
-class BackgroundFactory:
-    """Create background collections by type."""
-
-    BT = BackgroundTypeEnum
-
-    @classmethod
-    def _supported_map(cls) -> dict:
-        """Return mapping of enum values to concrete background
-        classes.
-        """
-        # Lazy import to avoid circulars
-        from easydiffraction.experiments.categories.background.chebyshev import (
-            ChebyshevPolynomialBackground,
-        )
-        from easydiffraction.experiments.categories.background.line_segment import (
-            LineSegmentBackground,
-        )
-
-        return {
-            cls.BT.LINE_SEGMENT: LineSegmentBackground,
-            cls.BT.CHEBYSHEV: ChebyshevPolynomialBackground,
-        }
-
-    @classmethod
-    def create(
-        cls,
-        background_type: Optional[BackgroundTypeEnum] = None,
-    ) -> BackgroundBase:
-        """Instantiate a background collection of requested type.
-
-        If type is None, the default enum value is used.
-        """
-        if background_type is None:
-            background_type = BackgroundTypeEnum.default()
-
-        supported = cls._supported_map()
-        if background_type not in supported:
-            supported_types = list(supported.keys())
-            raise ValueError(
-                f"Unsupported background type: '{background_type}'. "
-                f'Supported background types: {[bt.value for bt in supported_types]}'
-            )
-
-        background_class = supported[background_type]
-        return background_class()
diff --git a/src/easydiffraction/experiments/categories/data/bragg_pd.py b/src/easydiffraction/experiments/categories/data/bragg_pd.py
deleted file mode 100644
index da92da30..00000000
--- a/src/easydiffraction/experiments/categories/data/bragg_pd.py
+++ /dev/null
@@ -1,455 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-import numpy as np
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import MembershipValidator
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.io.cif.handler import CifHandler
-from easydiffraction.utils.utils import tof_to_d
-from easydiffraction.utils.utils import twotheta_to_d
-
-
-class PdDataPointBaseMixin:
-    """Single base data point mixin for powder diffraction data."""
-
-    def __init__(self, **kwargs):
-        super().__init__(**kwargs)
-
-        self._point_id = StringDescriptor(
-            name='point_id',
-            description='Identifier for this data point in the dataset.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                default='0',
-                # TODO: the following pattern is valid for dict key
-                #  (keywords are not checked). CIF label is less strict.
-                #  Do we need conversion between CIF and internal label?
-                content_validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_data.point_id',
-                ]
-            ),
-        )
-        self._d_spacing = NumericDescriptor(
-            name='d_spacing',
-            description='d-spacing value corresponding to this data point.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_proc.d_spacing',
-                ]
-            ),
-        )
-        self._intensity_meas = NumericDescriptor(
-            name='intensity_meas',
-            description='Intensity recorded at each measurement point as a function of angle/time',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_meas.intensity_total',
-                    '_pd_proc.intensity_norm',
-                ]
-            ),
-        )
-        self._intensity_meas_su = NumericDescriptor(
-            name='intensity_meas_su',
-            description='Standard uncertainty of the measured intensity at this data point.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=1.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_meas.intensity_total_su',
-                    '_pd_proc.intensity_norm_su',
-                ]
-            ),
-        )
-        self._intensity_calc = NumericDescriptor(
-            name='intensity_calc',
-            description='Intensity value for a computed diffractogram at this data point.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_calc.intensity_total',
-                ]
-            ),
-        )
-        self._intensity_bkg = NumericDescriptor(
-            name='intensity_bkg',
-            description='Intensity value for a computed background at this data point.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_calc.intensity_bkg',
-                ]
-            ),
-        )
-        self._calc_status = StringDescriptor(
-            name='calc_status',
-            description='Status code of the data point in the calculation process.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                default='incl',  # TODO: Make Enum
-                content_validator=MembershipValidator(allowed=['incl', 'excl']),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_data.refinement_status',  # TODO: rename to calc_status
-                ]
-            ),
-        )
-
-    @property
-    def point_id(self) -> StringDescriptor:
-        return self._point_id
-
-    @property
-    def d_spacing(self) -> NumericDescriptor:
-        return self._d_spacing
-
-    @property
-    def intensity_meas(self) -> NumericDescriptor:
-        return self._intensity_meas
-
-    @property
-    def intensity_meas_su(self) -> NumericDescriptor:
-        return self._intensity_meas_su
-
-    @property
-    def intensity_calc(self) -> NumericDescriptor:
-        return self._intensity_calc
-
-    @property
-    def intensity_bkg(self) -> NumericDescriptor:
-        return self._intensity_bkg
-
-    @property
-    def calc_status(self) -> StringDescriptor:
-        return self._calc_status
-
-
-class PdCwlDataPointMixin:
-    """Mixin for powder diffraction data points with constant
-    wavelength.
-    """
-
-    def __init__(self, **kwargs):
-        super().__init__(**kwargs)
-        self._two_theta = NumericDescriptor(
-            name='two_theta',
-            description='Measured 2θ diffraction angle.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0, le=180),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_proc.2theta_scan',
-                    '_pd_meas.2theta_scan',
-                ]
-            ),
-        )
-
-    @property
-    def two_theta(self) -> NumericDescriptor:
-        return self._two_theta
-
-
-class PdTofDataPointMixin:
-    """Mixin for powder diffraction data points with time-of-flight."""
-
-    def __init__(self, **kwargs):
-        super().__init__(**kwargs)
-        self._time_of_flight = NumericDescriptor(
-            name='time_of_flight',
-            description='Measured time for time-of-flight neutron measurement.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            units='µs',
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_meas.time_of_flight',
-                ]
-            ),
-        )
-
-    @property
-    def time_of_flight(self) -> NumericDescriptor:
-        return self._time_of_flight
-
-
-class PdCwlDataPoint(
-    PdDataPointBaseMixin,
-    PdCwlDataPointMixin,
-    CategoryItem,  # Must be last to ensure mixins initialized first
-):
-    """Powder diffraction data point for constant-wavelength
-    experiments.
-    """
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._identity.category_code = 'pd_data'
-        self._identity.category_entry_name = lambda: str(self.point_id.value)
-
-
-class PdTofDataPoint(
-    PdDataPointBaseMixin,
-    PdTofDataPointMixin,
-    CategoryItem,  # Must be last to ensure mixins initialized first
-):
-    """Powder diffraction data point for time-of-flight experiments."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._identity.category_code = 'pd_data'
-        self._identity.category_entry_name = lambda: str(self.point_id.value)
-
-
-class PdDataBase(CategoryCollection):
-    # TODO: ???
-
-    # Redefine update priority to ensure data updated after other
-    # categories. Higher number = runs later. Default for other
-    # categories, e.g., background and excluded regions are 10 by
-    # default
-    _update_priority = 100
-
-    # Should be set only once
-
-    def _set_point_id(self, values) -> None:
-        """Helper method to set point IDs."""
-        for p, v in zip(self._items, values, strict=True):
-            p.point_id._value = v
-
-    def _set_meas(self, values) -> None:
-        """Helper method to set measured intensity."""
-        for p, v in zip(self._items, values, strict=True):
-            p.intensity_meas._value = v
-
-    def _set_meas_su(self, values) -> None:
-        """Helper method to set standard uncertainty of measured
-        intensity.
-        """
-        for p, v in zip(self._items, values, strict=True):
-            p.intensity_meas_su._value = v
-
-    # Can be set multiple times
-
-    def _set_d_spacing(self, values) -> None:
-        """Helper method to set d-spacing values."""
-        for p, v in zip(self._calc_items, values, strict=True):
-            p.d_spacing._value = v
-
-    def _set_calc(self, values) -> None:
-        """Helper method to set calculated intensity."""
-        for p, v in zip(self._calc_items, values, strict=True):
-            p.intensity_calc._value = v
-
-    def _set_bkg(self, values) -> None:
-        """Helper method to set background intensity."""
-        for p, v in zip(self._calc_items, values, strict=True):
-            p.intensity_bkg._value = v
-
-    def _set_calc_status(self, values) -> None:
-        """Helper method to set refinement status."""
-        for p, v in zip(self._items, values, strict=True):
-            if v:
-                p.calc_status._value = 'incl'
-            elif not v:
-                p.calc_status._value = 'excl'
-            else:
-                raise ValueError(
-                    f'Invalid refinement status value: {v}. Expected boolean True/False.'
-                )
-
-    @property
-    def _calc_mask(self) -> np.ndarray:
-        return self.calc_status == 'incl'
-
-    @property
-    def _calc_items(self):
-        """Get only the items included in calculations."""
-        return [item for item, mask in zip(self._items, self._calc_mask, strict=False) if mask]
-
-    @property
-    def calc_status(self) -> np.ndarray:
-        return np.fromiter((p.calc_status.value for p in self._items), dtype=object)
-
-    @property
-    def d(self) -> np.ndarray:
-        return np.fromiter((p.d_spacing.value for p in self._calc_items), dtype=float)
-
-    @property
-    def meas(self) -> np.ndarray:
-        return np.fromiter((p.intensity_meas.value for p in self._calc_items), dtype=float)
-
-    @property
-    def meas_su(self) -> np.ndarray:
-        # TODO: The following is a temporary workaround to handle zero
-        #  or near-zero uncertainties in the data, when dats is loaded
-        #  from CIF files. This is necessary because zero uncertainties
-        #  cause fitting algorithms to fail.
-        #  The current implementation is inefficient.
-        #  In the future, we should extend the functionality of
-        #  the NumericDescriptor to automatically replace the value
-        #  outside of the valid range (`content_validator`) with a
-        #  default value (`default`), when the value is set.
-        #  BraggPdExperiment._load_ascii_data_to_experiment() handles
-        #  this for ASCII data, but we also need to handle CIF data and
-        #  come up with a consistent approach for both data sources.
-        original = np.fromiter((p.intensity_meas_su.value for p in self._calc_items), dtype=float)
-        # Replace values smaller than 0.0001 with 1.0
-        modified = np.where(original < 0.0001, 1.0, original)
-        return modified
-
-    @property
-    def calc(self) -> np.ndarray:
-        return np.fromiter((p.intensity_calc.value for p in self._calc_items), dtype=float)
-
-    @property
-    def bkg(self) -> np.ndarray:
-        return np.fromiter((p.intensity_bkg.value for p in self._calc_items), dtype=float)
-
-    def _update(self, called_by_minimizer=False):
-        experiment = self._parent
-        experiments = experiment._parent
-        project = experiments._parent
-        sample_models = project.sample_models
-        # calculator = experiment.calculator  # TODO: move from analysis
-        calculator = project.analysis.calculator
-
-        initial_calc = np.zeros_like(self.x)
-        calc = initial_calc
-        for linked_phase in experiment._get_valid_linked_phases(sample_models):
-            sample_model_id = linked_phase._identity.category_entry_name
-            sample_model_scale = linked_phase.scale.value
-            sample_model = sample_models[sample_model_id]
-
-            sample_model_calc = calculator.calculate_pattern(
-                sample_model,
-                experiment,
-                called_by_minimizer=called_by_minimizer,
-            )
-
-            sample_model_scaled_calc = sample_model_scale * sample_model_calc
-            calc += sample_model_scaled_calc
-
-        self._set_calc(calc + self.bkg)
-
-
-class PdCwlData(PdDataBase):
-    # TODO: ???
-    # _description: str = 'Powder diffraction data points for
-    # constant-wavelength experiments.'
-
-    def __init__(self):
-        super().__init__(item_type=PdCwlDataPoint)
-
-    # Should be set only once
-
-    def _set_x(self, values) -> None:
-        """Helper method to set 2θ values."""
-        # TODO: split into multiple methods
-        self._items = [self._item_type() for _ in range(values.size)]
-        for p, v in zip(self._items, values, strict=True):
-            p.two_theta._value = v
-        self._set_point_id([str(i + 1) for i in range(values.size)])
-
-    @property
-    def all_x(self) -> np.ndarray:
-        """Get the 2θ values for all data points in this collection."""
-        return np.fromiter((p.two_theta.value for p in self._items), dtype=float)
-
-    @property
-    def x(self) -> np.ndarray:
-        """Get the 2θ values for data points included in
-        calculations.
-        """
-        return np.fromiter((p.two_theta.value for p in self._calc_items), dtype=float)
-
-    def _update(self, called_by_minimizer=False):
-        super()._update(called_by_minimizer)
-
-        experiment = self._parent
-        d_spacing = twotheta_to_d(
-            self.x,
-            experiment.instrument.setup_wavelength.value,
-        )
-        self._set_d_spacing(d_spacing)
-
-
-class PdTofData(PdDataBase):
-    # TODO: ???
-    # _description: str = 'Powder diffraction data points for
-    # time-of-flight experiments.'
-
-    def __init__(self):
-        super().__init__(item_type=PdTofDataPoint)
-
-    def _set_x(self, values) -> None:
-        """Helper method to set time-of-flight values."""
-        # TODO: split into multiple methods
-        self._items = [self._item_type() for _ in range(values.size)]
-        for p, v in zip(self._items, values, strict=True):
-            p.time_of_flight._value = v
-        self._set_point_id([str(i + 1) for i in range(values.size)])
-
-    @property
-    def all_x(self) -> np.ndarray:
-        """Get the TOF values for all data points in this collection."""
-        return np.fromiter((p.time_of_flight.value for p in self._items), dtype=float)
-
-    @property
-    def x(self) -> np.ndarray:
-        """Get the TOF values for data points included in
-        calculations.
-        """
-        return np.fromiter((p.time_of_flight.value for p in self._calc_items), dtype=float)
-
-    def _update(self, called_by_minimizer=False):
-        super()._update(called_by_minimizer)
-
-        experiment = self._parent
-        d_spacing = tof_to_d(
-            self.x,
-            experiment.instrument.calib_d_to_tof_offset.value,
-            experiment.instrument.calib_d_to_tof_linear.value,
-            experiment.instrument.calib_d_to_tof_quad.value,
-        )
-        self._set_d_spacing(d_spacing)
diff --git a/src/easydiffraction/experiments/categories/data/bragg_sc.py b/src/easydiffraction/experiments/categories/data/bragg_sc.py
deleted file mode 100644
index f738b2df..00000000
--- a/src/easydiffraction/experiments/categories/data/bragg_sc.py
+++ /dev/null
@@ -1,96 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class Refln:
-    def __init__(self, **kwargs):
-        super().__init__(**kwargs)
-
-        self._index_h = StringDescriptor(
-            name='index_h',
-            description='...',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_refln.index_h',
-                ]
-            ),
-        )
-        self._index_k = StringDescriptor(
-            name='index_k',
-            description='...',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_refln.index_k',
-                ]
-            ),
-        )
-        self._index_l = StringDescriptor(
-            name='index_l',
-            description='...',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_refln.index_l',
-                ]
-            ),
-        )
-        self._intensity_meas = NumericDescriptor(
-            name='intensity_meas',
-            description='...',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_refln.intensity_meas',
-                ]
-            ),
-        )
-        self._intensity_meas_su = NumericDescriptor(
-            name='intensity_meas_su',
-            description='...',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_refln.intensity_meas_su',
-                ]
-            ),
-        )
-
-    class ReflnData(CategoryCollection):
-        """..."""
-
-        _update_priority = 100
-
-        def __init__(self):
-            super().__init__(item_type=Refln)
diff --git a/src/easydiffraction/experiments/categories/data/factory.py b/src/easydiffraction/experiments/categories/data/factory.py
deleted file mode 100644
index 2d60560c..00000000
--- a/src/easydiffraction/experiments/categories/data/factory.py
+++ /dev/null
@@ -1,76 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-from typing import Optional
-
-from easydiffraction.experiments.categories.data.bragg_pd import PdCwlData
-from easydiffraction.experiments.categories.data.bragg_pd import PdTofData
-from easydiffraction.experiments.categories.data.total import TotalData
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import SampleFormEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-
-if TYPE_CHECKING:
-    from easydiffraction.core.category import CategoryCollection
-
-
-class DataFactory:
-    """Factory for creating powder diffraction data collections."""
-
-    _supported = {
-        SampleFormEnum.POWDER: {
-            ScatteringTypeEnum.BRAGG: {
-                BeamModeEnum.CONSTANT_WAVELENGTH: PdCwlData,
-                BeamModeEnum.TIME_OF_FLIGHT: PdTofData,
-            },
-            ScatteringTypeEnum.TOTAL: {
-                BeamModeEnum.CONSTANT_WAVELENGTH: TotalData,
-                BeamModeEnum.TIME_OF_FLIGHT: TotalData,
-            },
-        },
-    }
-
-    @classmethod
-    def create(
-        cls,
-        *,
-        sample_form: Optional[SampleFormEnum] = None,
-        beam_mode: Optional[BeamModeEnum] = None,
-        scattering_type: Optional[ScatteringTypeEnum] = None,
-    ) -> CategoryCollection:
-        """Create a data collection for the given configuration."""
-        if sample_form is None:
-            sample_form = SampleFormEnum.default()
-        if beam_mode is None:
-            beam_mode = BeamModeEnum.default()
-        if scattering_type is None:
-            scattering_type = ScatteringTypeEnum.default()
-
-        supported_sample_forms = list(cls._supported.keys())
-        if sample_form not in supported_sample_forms:
-            raise ValueError(
-                f"Unsupported sample form: '{sample_form}'.\n"
-                f'Supported sample forms: {supported_sample_forms}'
-            )
-
-        supported_scattering_types = list(cls._supported[sample_form].keys())
-        if scattering_type not in supported_scattering_types:
-            raise ValueError(
-                f"Unsupported scattering type: '{scattering_type}' for sample form: "
-                f"'{sample_form}'.\n Supported scattering types: '{supported_scattering_types}'"
-            )
-        supported_beam_modes = list(cls._supported[sample_form][scattering_type].keys())
-        if beam_mode not in supported_beam_modes:
-            raise ValueError(
-                f"Unsupported beam mode: '{beam_mode}' for sample form: "
-                f"'{sample_form}' and scattering type '{scattering_type}'.\n"
-                f"Supported beam modes: '{supported_beam_modes}'"
-            )
-
-        data_class = cls._supported[sample_form][scattering_type][beam_mode]
-        data_obj = data_class()
-
-        return data_obj
diff --git a/src/easydiffraction/experiments/categories/data/total.py b/src/easydiffraction/experiments/categories/data/total.py
deleted file mode 100644
index 5dc69b9d..00000000
--- a/src/easydiffraction/experiments/categories/data/total.py
+++ /dev/null
@@ -1,267 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Data categories for total scattering (PDF) experiments."""
-
-from __future__ import annotations
-
-import numpy as np
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import NumericDescriptor
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import MembershipValidator
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class TotalDataPoint(CategoryItem):
-    """Total scattering (PDF) data point in r-space (real space).
-
-    Note: PDF data is always in r-space regardless of whether the
-    original measurement was CWL or TOF.
-    """
-
-    def __init__(self) -> None:
-        super().__init__()
-
-        self._point_id = StringDescriptor(
-            name='point_id',
-            description='Identifier for this data point in the dataset.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                default='0',
-                content_validator=RegexValidator(pattern=r'^[A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_data.point_id',  # TODO: Use total scattering CIF names
-                ]
-            ),
-        )
-        self._r = NumericDescriptor(
-            name='r',
-            description='Interatomic distance in real space.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            units='Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_proc.r',  # TODO: Use PDF-specific CIF names
-                ]
-            ),
-        )
-        self._g_r_meas = NumericDescriptor(
-            name='g_r_meas',
-            description='Measured pair distribution function G(r).',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_meas.intensity_total',  # TODO: Use PDF-specific CIF names
-                ]
-            ),
-        )
-        self._g_r_meas_su = NumericDescriptor(
-            name='g_r_meas_su',
-            description='Standard uncertainty of measured G(r).',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_meas.intensity_total_su',  # TODO: Use PDF-specific CIF names
-                ]
-            ),
-        )
-        self._g_r_calc = NumericDescriptor(
-            name='g_r_calc',
-            description='Calculated pair distribution function G(r).',
-            value_spec=AttributeSpec(
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_calc.intensity_total',  # TODO: Use PDF-specific CIF names
-                ]
-            ),
-        )
-        self._calc_status = StringDescriptor(
-            name='calc_status',
-            description='Status code of the data point in calculation.',
-            value_spec=AttributeSpec(
-                type_=DataTypes.STRING,
-                default='incl',
-                content_validator=MembershipValidator(allowed=['incl', 'excl']),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_data.refinement_status',  # TODO: Use PDF-specific CIF names
-                ]
-            ),
-        )
-
-        self._identity.category_code = 'total_data'
-        self._identity.category_entry_name = lambda: str(self.point_id.value)
-
-    @property
-    def point_id(self) -> StringDescriptor:
-        return self._point_id
-
-    @property
-    def r(self) -> NumericDescriptor:
-        return self._r
-
-    @property
-    def g_r_meas(self) -> NumericDescriptor:
-        return self._g_r_meas
-
-    @property
-    def g_r_meas_su(self) -> NumericDescriptor:
-        return self._g_r_meas_su
-
-    @property
-    def g_r_calc(self) -> NumericDescriptor:
-        return self._g_r_calc
-
-    @property
-    def calc_status(self) -> StringDescriptor:
-        return self._calc_status
-
-
-class TotalDataBase(CategoryCollection):
-    """Base class for total scattering data collections."""
-
-    _update_priority = 100
-
-    # Should be set only once
-
-    def _set_point_id(self, values) -> None:
-        """Helper method to set point IDs."""
-        for p, v in zip(self._items, values, strict=True):
-            p.point_id._value = v
-
-    def _set_meas(self, values) -> None:
-        """Helper method to set measured G(r)."""
-        for p, v in zip(self._items, values, strict=True):
-            p.g_r_meas._value = v
-
-    def _set_meas_su(self, values) -> None:
-        """Helper method to set standard uncertainty of measured
-        G(r).
-        """
-        for p, v in zip(self._items, values, strict=True):
-            p.g_r_meas_su._value = v
-
-    # Can be set multiple times
-
-    def _set_calc(self, values) -> None:
-        """Helper method to set calculated G(r)."""
-        for p, v in zip(self._calc_items, values, strict=True):
-            p.g_r_calc._value = v
-
-    def _set_calc_status(self, values) -> None:
-        """Helper method to set calculation status."""
-        for p, v in zip(self._items, values, strict=True):
-            if v:
-                p.calc_status._value = 'incl'
-            elif not v:
-                p.calc_status._value = 'excl'
-            else:
-                raise ValueError(
-                    f'Invalid calculation status value: {v}. Expected boolean True/False.'
-                )
-
-    @property
-    def _calc_mask(self) -> np.ndarray:
-        return self.calc_status == 'incl'
-
-    @property
-    def _calc_items(self):
-        """Get only the items included in calculations."""
-        return [item for item, mask in zip(self._items, self._calc_mask, strict=False) if mask]
-
-    @property
-    def calc_status(self) -> np.ndarray:
-        return np.fromiter((p.calc_status.value for p in self._items), dtype=object)
-
-    @property
-    def meas(self) -> np.ndarray:
-        return np.fromiter((p.g_r_meas.value for p in self._calc_items), dtype=float)
-
-    @property
-    def meas_su(self) -> np.ndarray:
-        return np.fromiter((p.g_r_meas_su.value for p in self._calc_items), dtype=float)
-
-    @property
-    def calc(self) -> np.ndarray:
-        return np.fromiter((p.g_r_calc.value for p in self._calc_items), dtype=float)
-
-    @property
-    def bkg(self) -> np.ndarray:
-        """Background is always zero for PDF data."""
-        return np.zeros_like(self.calc)
-
-    def _update(self, called_by_minimizer=False):
-        experiment = self._parent
-        experiments = experiment._parent
-        project = experiments._parent
-        sample_models = project.sample_models
-        calculator = project.analysis.calculator
-
-        initial_calc = np.zeros_like(self.x)
-        calc = initial_calc
-        for linked_phase in experiment._get_valid_linked_phases(sample_models):
-            sample_model_id = linked_phase._identity.category_entry_name
-            sample_model_scale = linked_phase.scale.value
-            sample_model = sample_models[sample_model_id]
-
-            sample_model_calc = calculator.calculate_pattern(
-                sample_model,
-                experiment,
-                called_by_minimizer=called_by_minimizer,
-            )
-
-            sample_model_scaled_calc = sample_model_scale * sample_model_calc
-            calc += sample_model_scaled_calc
-
-        self._set_calc(calc)
-
-
-class TotalData(TotalDataBase):
-    """Total scattering (PDF) data collection in r-space.
-
-    Note: Works for both CWL and TOF measurements as PDF data
-    is always transformed to r-space.
-    """
-
-    def __init__(self):
-        super().__init__(item_type=TotalDataPoint)
-
-    def _set_x(self, values) -> None:
-        """Helper method to set r values."""
-        self._items = [self._item_type() for _ in range(values.size)]
-        for p, v in zip(self._items, values, strict=True):
-            p.r._value = v
-        self._set_point_id([str(i + 1) for i in range(values.size)])
-
-    @property
-    def all_x(self) -> np.ndarray:
-        """Get the r values for all data points."""
-        return np.fromiter((p.r.value for p in self._items), dtype=float)
-
-    @property
-    def x(self) -> np.ndarray:
-        """Get the r values for data points included in calculations."""
-        return np.fromiter((p.r.value for p in self._calc_items), dtype=float)
diff --git a/src/easydiffraction/experiments/categories/experiment_type.py b/src/easydiffraction/experiments/categories/experiment_type.py
deleted file mode 100644
index babe82ee..00000000
--- a/src/easydiffraction/experiments/categories/experiment_type.py
+++ /dev/null
@@ -1,156 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Experiment type descriptor (form, beam, probe, scattering).
-
-This lightweight container stores the categorical attributes defining
-an experiment configuration and handles CIF serialization via
-``CifHandler``.
-"""
-
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import MembershipValidator
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-from easydiffraction.experiments.experiment.enums import SampleFormEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class ExperimentType(CategoryItem):
-    """Container of categorical attributes defining experiment flavor.
-
-    Args:
-        sample_form: Powder or Single crystal.
-        beam_mode: Constant wavelength (CW) or time-of-flight (TOF).
-        radiation_probe: Neutrons or X-rays.
-        scattering_type: Bragg or Total.
-    """
-
-    def __init__(
-        self,
-        *,
-        sample_form=None,
-        beam_mode=None,
-        radiation_probe=None,
-        scattering_type=None,
-    ):
-        super().__init__()
-
-        self._sample_form: StringDescriptor = StringDescriptor(
-            name='sample_form',
-            description='Specifies whether the diffraction data corresponds to '
-            'powder diffraction or single crystal diffraction',
-            value_spec=AttributeSpec(
-                value=sample_form,
-                type_=DataTypes.STRING,
-                default=SampleFormEnum.default().value,
-                content_validator=MembershipValidator(
-                    allowed=[member.value for member in SampleFormEnum]
-                ),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_expt_type.sample_form',
-                ]
-            ),
-        )
-
-        self._beam_mode: StringDescriptor = StringDescriptor(
-            name='beam_mode',
-            description='Defines whether the measurement is performed with a '
-            'constant wavelength (CW) or time-of-flight (TOF) method',
-            value_spec=AttributeSpec(
-                value=beam_mode,
-                type_=DataTypes.STRING,
-                default=BeamModeEnum.default().value,
-                content_validator=MembershipValidator(
-                    allowed=[member.value for member in BeamModeEnum]
-                ),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_expt_type.beam_mode',
-                ]
-            ),
-        )
-        self._radiation_probe: StringDescriptor = StringDescriptor(
-            name='radiation_probe',
-            description='Specifies whether the measurement uses neutrons or X-rays',
-            value_spec=AttributeSpec(
-                value=radiation_probe,
-                type_=DataTypes.STRING,
-                default=RadiationProbeEnum.default().value,
-                content_validator=MembershipValidator(
-                    allowed=[member.value for member in RadiationProbeEnum]
-                ),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_expt_type.radiation_probe',
-                ]
-            ),
-        )
-        self._scattering_type: StringDescriptor = StringDescriptor(
-            name='scattering_type',
-            description='Specifies whether the experiment uses Bragg scattering '
-            '(for conventional structure refinement) or total scattering '
-            '(for pair distribution function analysis - PDF)',
-            value_spec=AttributeSpec(
-                value=scattering_type,
-                type_=DataTypes.STRING,
-                default=ScatteringTypeEnum.default().value,
-                content_validator=MembershipValidator(
-                    allowed=[member.value for member in ScatteringTypeEnum]
-                ),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_expt_type.scattering_type',
-                ]
-            ),
-        )
-
-        self._identity.category_code = 'expt_type'
-
-    @property
-    def sample_form(self):
-        """Sample form descriptor (powder/single crystal)."""
-        return self._sample_form
-
-    @sample_form.setter
-    def sample_form(self, value):
-        """Set sample form value."""
-        self._sample_form.value = value
-
-    @property
-    def beam_mode(self):
-        """Beam mode descriptor (CW/TOF)."""
-        return self._beam_mode
-
-    @beam_mode.setter
-    def beam_mode(self, value):
-        """Set beam mode value."""
-        self._beam_mode.value = value
-
-    @property
-    def radiation_probe(self):
-        """Radiation probe descriptor (neutrons/X-rays)."""
-        return self._radiation_probe
-
-    @radiation_probe.setter
-    def radiation_probe(self, value):
-        """Set radiation probe value."""
-        self._radiation_probe.value = value
-
-    @property
-    def scattering_type(self):
-        """Scattering type descriptor (Bragg/Total)."""
-        return self._scattering_type
-
-    @scattering_type.setter
-    def scattering_type(self, value):
-        """Set scattering type value."""
-        self._scattering_type.value = value
diff --git a/src/easydiffraction/experiments/categories/instrument/__init__.py b/src/easydiffraction/experiments/categories/instrument/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/experiments/categories/instrument/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/experiments/categories/instrument/cwl.py b/src/easydiffraction/experiments/categories/instrument/cwl.py
deleted file mode 100644
index 0653f93c..00000000
--- a/src/easydiffraction/experiments/categories/instrument/cwl.py
+++ /dev/null
@@ -1,72 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.experiments.categories.instrument.base import InstrumentBase
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class CwlInstrument(InstrumentBase):
-    def __init__(
-        self,
-        *,
-        setup_wavelength=None,
-        calib_twotheta_offset=None,
-    ) -> None:
-        super().__init__()
-
-        self._setup_wavelength: Parameter = Parameter(
-            name='wavelength',
-            description='Incident neutron or X-ray wavelength',
-            value_spec=AttributeSpec(
-                value=setup_wavelength,
-                type_=DataTypes.NUMERIC,
-                default=1.5406,
-                content_validator=RangeValidator(),
-            ),
-            units='Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.wavelength',
-                ]
-            ),
-        )
-        self._calib_twotheta_offset: Parameter = Parameter(
-            name='twotheta_offset',
-            description='Instrument misalignment offset',
-            value_spec=AttributeSpec(
-                value=calib_twotheta_offset,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.2theta_offset',
-                ]
-            ),
-        )
-
-    @property
-    def setup_wavelength(self):
-        """Incident wavelength parameter (Å)."""
-        return self._setup_wavelength
-
-    @setup_wavelength.setter
-    def setup_wavelength(self, value):
-        """Set incident wavelength value (Å)."""
-        self._setup_wavelength.value = value
-
-    @property
-    def calib_twotheta_offset(self):
-        """Instrument misalignment two-theta offset (deg)."""
-        return self._calib_twotheta_offset
-
-    @calib_twotheta_offset.setter
-    def calib_twotheta_offset(self, value):
-        """Set two-theta offset value (deg)."""
-        self._calib_twotheta_offset.value = value
diff --git a/src/easydiffraction/experiments/categories/instrument/factory.py b/src/easydiffraction/experiments/categories/instrument/factory.py
deleted file mode 100644
index 443957a1..00000000
--- a/src/easydiffraction/experiments/categories/instrument/factory.py
+++ /dev/null
@@ -1,74 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Factory for instrument category items.
-
-Provides a stable entry point for creating instrument objects from the
-experiment's scattering type and beam mode.
-"""
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-from typing import Optional
-from typing import Type
-
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.instrument.base import InstrumentBase
-
-
-class InstrumentFactory:
-    """Create instrument instances for supported modes.
-
-    The factory hides implementation details and lazy-loads concrete
-    instrument classes to avoid circular imports.
-    """
-
-    ST = ScatteringTypeEnum
-    BM = BeamModeEnum
-
-    @classmethod
-    def _supported_map(cls) -> dict:
-        # Lazy import to avoid circulars
-        from easydiffraction.experiments.categories.instrument.cwl import CwlInstrument
-        from easydiffraction.experiments.categories.instrument.tof import TofInstrument
-
-        return {
-            cls.ST.BRAGG: {
-                cls.BM.CONSTANT_WAVELENGTH: CwlInstrument,
-                cls.BM.TIME_OF_FLIGHT: TofInstrument,
-            }
-        }
-
-    @classmethod
-    def create(
-        cls,
-        scattering_type: Optional[ScatteringTypeEnum] = None,
-        beam_mode: Optional[BeamModeEnum] = None,
-    ) -> InstrumentBase:
-        if beam_mode is None:
-            beam_mode = BeamModeEnum.default()
-        if scattering_type is None:
-            scattering_type = ScatteringTypeEnum.default()
-
-        supported = cls._supported_map()
-
-        supported_scattering_types = list(supported.keys())
-        if scattering_type not in supported_scattering_types:
-            raise ValueError(
-                f"Unsupported scattering type: '{scattering_type}'.\n "
-                f'Supported scattering types: {supported_scattering_types}'
-            )
-
-        supported_beam_modes = list(supported[scattering_type].keys())
-        if beam_mode not in supported_beam_modes:
-            raise ValueError(
-                f"Unsupported beam mode: '{beam_mode}' for scattering type: "
-                f"'{scattering_type}'.\n "
-                f'Supported beam modes: {supported_beam_modes}'
-            )
-
-        instrument_class: Type[InstrumentBase] = supported[scattering_type][beam_mode]
-        return instrument_class()
diff --git a/src/easydiffraction/experiments/categories/instrument/tof.py b/src/easydiffraction/experiments/categories/instrument/tof.py
deleted file mode 100644
index ede52d3c..00000000
--- a/src/easydiffraction/experiments/categories/instrument/tof.py
+++ /dev/null
@@ -1,153 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.experiments.categories.instrument.base import InstrumentBase
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class TofInstrument(InstrumentBase):
-    def __init__(
-        self,
-        *,
-        setup_twotheta_bank=None,
-        calib_d_to_tof_offset=None,
-        calib_d_to_tof_linear=None,
-        calib_d_to_tof_quad=None,
-        calib_d_to_tof_recip=None,
-    ) -> None:
-        super().__init__()
-
-        self._setup_twotheta_bank: Parameter = Parameter(
-            name='twotheta_bank',
-            description='Detector bank position',
-            value_spec=AttributeSpec(
-                value=setup_twotheta_bank,
-                type_=DataTypes.NUMERIC,
-                default=150.0,
-                content_validator=RangeValidator(),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.2theta_bank',
-                ]
-            ),
-        )
-        self._calib_d_to_tof_offset: Parameter = Parameter(
-            name='d_to_tof_offset',
-            description='TOF offset',
-            value_spec=AttributeSpec(
-                value=calib_d_to_tof_offset,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.d_to_tof_offset',
-                ]
-            ),
-        )
-        self._calib_d_to_tof_linear: Parameter = Parameter(
-            name='d_to_tof_linear',
-            description='TOF linear conversion',
-            value_spec=AttributeSpec(
-                value=calib_d_to_tof_linear,
-                type_=DataTypes.NUMERIC,
-                default=10000.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs/Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.d_to_tof_linear',
-                ]
-            ),
-        )
-        self._calib_d_to_tof_quad: Parameter = Parameter(
-            name='d_to_tof_quad',
-            description='TOF quadratic correction',
-            value_spec=AttributeSpec(
-                value=calib_d_to_tof_quad,
-                type_=DataTypes.NUMERIC,
-                default=-0.00001,
-                content_validator=RangeValidator(),
-            ),
-            units='µs/Ų',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.d_to_tof_quad',
-                ]
-            ),
-        )
-        self._calib_d_to_tof_recip: Parameter = Parameter(
-            name='d_to_tof_recip',
-            description='TOF reciprocal velocity correction',
-            value_spec=AttributeSpec(
-                value=calib_d_to_tof_recip,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs·Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_instr.d_to_tof_recip',
-                ]
-            ),
-        )
-
-    @property
-    def setup_twotheta_bank(self):
-        """Detector bank two-theta position (deg)."""
-        return self._setup_twotheta_bank
-
-    @setup_twotheta_bank.setter
-    def setup_twotheta_bank(self, value):
-        """Set detector bank two-theta position (deg)."""
-        self._setup_twotheta_bank.value = value
-
-    @property
-    def calib_d_to_tof_offset(self):
-        """TOF offset calibration parameter (µs)."""
-        return self._calib_d_to_tof_offset
-
-    @calib_d_to_tof_offset.setter
-    def calib_d_to_tof_offset(self, value):
-        """Set TOF offset (µs)."""
-        self._calib_d_to_tof_offset.value = value
-
-    @property
-    def calib_d_to_tof_linear(self):
-        """Linear d to TOF conversion coefficient (µs/Å)."""
-        return self._calib_d_to_tof_linear
-
-    @calib_d_to_tof_linear.setter
-    def calib_d_to_tof_linear(self, value):
-        """Set linear d to TOF coefficient (µs/Å)."""
-        self._calib_d_to_tof_linear.value = value
-
-    @property
-    def calib_d_to_tof_quad(self):
-        """Quadratic d to TOF correction coefficient (µs/Ų)."""
-        return self._calib_d_to_tof_quad
-
-    @calib_d_to_tof_quad.setter
-    def calib_d_to_tof_quad(self, value):
-        """Set quadratic d to TOF correction (µs/Ų)."""
-        self._calib_d_to_tof_quad.value = value
-
-    @property
-    def calib_d_to_tof_recip(self):
-        """Reciprocal-velocity d to TOF correction (µs·Å)."""
-        return self._calib_d_to_tof_recip
-
-    @calib_d_to_tof_recip.setter
-    def calib_d_to_tof_recip(self, value):
-        """Set reciprocal-velocity d to TOF correction (µs·Å)."""
-        self._calib_d_to_tof_recip.value = value
diff --git a/src/easydiffraction/experiments/categories/linked_phases.py b/src/easydiffraction/experiments/categories/linked_phases.py
deleted file mode 100644
index 3ff827d5..00000000
--- a/src/easydiffraction/experiments/categories/linked_phases.py
+++ /dev/null
@@ -1,86 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Linked phases allow combining phases with scale factors."""
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class LinkedPhase(CategoryItem):
-    """Link to a phase by id with a scale factor."""
-
-    def __init__(
-        self,
-        *,
-        id=None,  # TODO: need new name instead of id
-        scale=None,
-    ):
-        super().__init__()
-
-        self._id = StringDescriptor(
-            name='id',
-            description='Identifier of the linked phase.',
-            value_spec=AttributeSpec(
-                value=id,
-                type_=DataTypes.STRING,
-                default='Si',
-                content_validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_phase_block.id',
-                ]
-            ),
-        )
-        self._scale = Parameter(
-            name='scale',
-            description='Scale factor of the linked phase.',
-            value_spec=AttributeSpec(
-                value=scale,
-                type_=DataTypes.NUMERIC,
-                default=1.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_pd_phase_block.scale',
-                ]
-            ),
-        )
-        self._identity.category_code = 'linked_phases'
-        self._identity.category_entry_name = lambda: str(self.id.value)
-
-    @property
-    def id(self) -> StringDescriptor:
-        """Identifier of the linked phase."""
-        return self._id
-
-    @id.setter
-    def id(self, value: str):
-        """Set the linked phase identifier."""
-        self._id.value = value
-
-    @property
-    def scale(self) -> Parameter:
-        """Scale factor parameter."""
-        return self._scale
-
-    @scale.setter
-    def scale(self, value: float):
-        """Set scale factor value."""
-        self._scale.value = value
-
-
-class LinkedPhases(CategoryCollection):
-    """Collection of LinkedPhase instances."""
-
-    def __init__(self):
-        """Create an empty collection of linked phases."""
-        super().__init__(item_type=LinkedPhase)
diff --git a/src/easydiffraction/experiments/categories/peak/__init__.py b/src/easydiffraction/experiments/categories/peak/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/experiments/categories/peak/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/experiments/categories/peak/cwl.py b/src/easydiffraction/experiments/categories/peak/cwl.py
deleted file mode 100644
index 76777a44..00000000
--- a/src/easydiffraction/experiments/categories/peak/cwl.py
+++ /dev/null
@@ -1,45 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Constant-wavelength peak profile classes."""
-
-from easydiffraction.experiments.categories.peak.base import PeakBase
-from easydiffraction.experiments.categories.peak.cwl_mixins import CwlBroadeningMixin
-from easydiffraction.experiments.categories.peak.cwl_mixins import EmpiricalAsymmetryMixin
-from easydiffraction.experiments.categories.peak.cwl_mixins import FcjAsymmetryMixin
-
-
-class CwlPseudoVoigt(
-    PeakBase,
-    CwlBroadeningMixin,
-):
-    """Constant-wavelength pseudo-Voigt peak shape."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_constant_wavelength_broadening()
-
-
-class CwlSplitPseudoVoigt(
-    PeakBase,
-    CwlBroadeningMixin,
-    EmpiricalAsymmetryMixin,
-):
-    """Split pseudo-Voigt (empirical asymmetry) for CWL mode."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_constant_wavelength_broadening()
-        self._add_empirical_asymmetry()
-
-
-class CwlThompsonCoxHastings(
-    PeakBase,
-    CwlBroadeningMixin,
-    FcjAsymmetryMixin,
-):
-    """Thompson–Cox–Hastings with FCJ asymmetry for CWL mode."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_constant_wavelength_broadening()
-        self._add_fcj_asymmetry()
diff --git a/src/easydiffraction/experiments/categories/peak/cwl_mixins.py b/src/easydiffraction/experiments/categories/peak/cwl_mixins.py
deleted file mode 100644
index 47d48636..00000000
--- a/src/easydiffraction/experiments/categories/peak/cwl_mixins.py
+++ /dev/null
@@ -1,332 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Constant-wavelength (CWL) peak-profile mixins.
-
-This module provides mixins that add broadening and asymmetry parameters
-for constant-wavelength powder diffraction peak profiles. They are
-composed into concrete peak classes elsewhere.
-"""
-
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class CwlBroadeningMixin:
-    """Mixin that adds CWL Gaussian and Lorentz broadening
-    parameters.
-    """
-
-    # TODO: Rename to cwl. Check other mixins for naming consistency.
-    def _add_constant_wavelength_broadening(self) -> None:
-        """Create CWL broadening parameters and attach them to the
-        class.
-
-        Defines Gaussian (U, V, W) and Lorentz (X, Y) terms
-        often used in the TCH formulation. Values are stored as
-        ``Parameter`` objects.
-        """
-        self._broad_gauss_u: Parameter = Parameter(
-            name='broad_gauss_u',
-            description='Gaussian broadening coefficient (dependent on '
-            'sample size and instrument resolution)',
-            value_spec=AttributeSpec(
-                value=0.01,
-                type_=DataTypes.NUMERIC,
-                default=0.01,
-                content_validator=RangeValidator(),
-            ),
-            units='deg²',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.broad_gauss_u',
-                ]
-            ),
-        )
-        self._broad_gauss_v: Parameter = Parameter(
-            name='broad_gauss_v',
-            description='Gaussian broadening coefficient (instrumental broadening contribution)',
-            value_spec=AttributeSpec(
-                value=-0.01,
-                type_=DataTypes.NUMERIC,
-                default=-0.01,
-                content_validator=RangeValidator(),
-            ),
-            units='deg²',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.broad_gauss_v',
-                ]
-            ),
-        )
-        self._broad_gauss_w: Parameter = Parameter(
-            name='broad_gauss_w',
-            description='Gaussian broadening coefficient (instrumental broadening contribution)',
-            value_spec=AttributeSpec(
-                value=0.02,
-                type_=DataTypes.NUMERIC,
-                default=0.02,
-                content_validator=RangeValidator(),
-            ),
-            units='deg²',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.broad_gauss_w',
-                ]
-            ),
-        )
-        self._broad_lorentz_x: Parameter = Parameter(
-            name='broad_lorentz_x',
-            description='Lorentzian broadening coefficient (dependent on sample strain effects)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.broad_lorentz_x',
-                ]
-            ),
-        )
-        self._broad_lorentz_y: Parameter = Parameter(
-            name='broad_lorentz_y',
-            description='Lorentzian broadening coefficient (dependent on '
-            'microstructural defects and strain)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.broad_lorentz_y',
-                ]
-            ),
-        )
-
-    @property
-    def broad_gauss_u(self) -> Parameter:
-        """Get Gaussian U broadening parameter."""
-        return self._broad_gauss_u
-
-    @broad_gauss_u.setter
-    def broad_gauss_u(self, value: float) -> None:
-        """Set Gaussian U broadening parameter."""
-        self._broad_gauss_u.value = value
-
-    @property
-    def broad_gauss_v(self) -> Parameter:
-        """Get Gaussian V broadening parameter."""
-        return self._broad_gauss_v
-
-    @broad_gauss_v.setter
-    def broad_gauss_v(self, value: float) -> None:
-        """Set Gaussian V broadening parameter."""
-        self._broad_gauss_v.value = value
-
-    @property
-    def broad_gauss_w(self) -> Parameter:
-        """Get Gaussian W broadening parameter."""
-        return self._broad_gauss_w
-
-    @broad_gauss_w.setter
-    def broad_gauss_w(self, value: float) -> None:
-        """Set Gaussian W broadening parameter."""
-        self._broad_gauss_w.value = value
-
-    @property
-    def broad_lorentz_x(self) -> Parameter:
-        """Get Lorentz X broadening parameter."""
-        return self._broad_lorentz_x
-
-    @broad_lorentz_x.setter
-    def broad_lorentz_x(self, value: float) -> None:
-        """Set Lorentz X broadening parameter."""
-        self._broad_lorentz_x.value = value
-
-    @property
-    def broad_lorentz_y(self) -> Parameter:
-        """Get Lorentz Y broadening parameter."""
-        return self._broad_lorentz_y
-
-    @broad_lorentz_y.setter
-    def broad_lorentz_y(self, value: float) -> None:
-        """Set Lorentz Y broadening parameter."""
-        self._broad_lorentz_y.value = value
-
-
-class EmpiricalAsymmetryMixin:
-    """Mixin that adds empirical CWL peak asymmetry parameters."""
-
-    def _add_empirical_asymmetry(self) -> None:
-        """Create empirical asymmetry parameters p1..p4."""
-        self._asym_empir_1: Parameter = Parameter(
-            name='asym_empir_1',
-            description='Empirical asymmetry coefficient p1',
-            value_spec=AttributeSpec(
-                value=0.1,
-                type_=DataTypes.NUMERIC,
-                default=0.1,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_empir_1',
-                ]
-            ),
-        )
-        self._asym_empir_2: Parameter = Parameter(
-            name='asym_empir_2',
-            description='Empirical asymmetry coefficient p2',
-            value_spec=AttributeSpec(
-                value=0.2,
-                type_=DataTypes.NUMERIC,
-                default=0.2,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_empir_2',
-                ]
-            ),
-        )
-        self._asym_empir_3: Parameter = Parameter(
-            name='asym_empir_3',
-            description='Empirical asymmetry coefficient p3',
-            value_spec=AttributeSpec(
-                value=0.3,
-                type_=DataTypes.NUMERIC,
-                default=0.3,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_empir_3',
-                ]
-            ),
-        )
-        self._asym_empir_4: Parameter = Parameter(
-            name='asym_empir_4',
-            description='Empirical asymmetry coefficient p4',
-            value_spec=AttributeSpec(
-                value=0.4,
-                type_=DataTypes.NUMERIC,
-                default=0.4,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_empir_4',
-                ]
-            ),
-        )
-
-    @property
-    def asym_empir_1(self) -> Parameter:
-        """Get empirical asymmetry coefficient p1."""
-        return self._asym_empir_1
-
-    @asym_empir_1.setter
-    def asym_empir_1(self, value: float) -> None:
-        """Set empirical asymmetry coefficient p1."""
-        self._asym_empir_1.value = value
-
-    @property
-    def asym_empir_2(self) -> Parameter:
-        """Get empirical asymmetry coefficient p2."""
-        return self._asym_empir_2
-
-    @asym_empir_2.setter
-    def asym_empir_2(self, value: float) -> None:
-        """Set empirical asymmetry coefficient p2."""
-        self._asym_empir_2.value = value
-
-    @property
-    def asym_empir_3(self) -> Parameter:
-        """Get empirical asymmetry coefficient p3."""
-        return self._asym_empir_3
-
-    @asym_empir_3.setter
-    def asym_empir_3(self, value: float) -> None:
-        """Set empirical asymmetry coefficient p3."""
-        self._asym_empir_3.value = value
-
-    @property
-    def asym_empir_4(self) -> Parameter:
-        """Get empirical asymmetry coefficient p4."""
-        return self._asym_empir_4
-
-    @asym_empir_4.setter
-    def asym_empir_4(self, value: float) -> None:
-        """Set empirical asymmetry coefficient p4."""
-        self._asym_empir_4.value = value
-
-
-class FcjAsymmetryMixin:
-    """Mixin that adds Finger–Cox–Jephcoat (FCJ) asymmetry params."""
-
-    def _add_fcj_asymmetry(self) -> None:
-        """Create FCJ asymmetry parameters."""
-        self._asym_fcj_1: Parameter = Parameter(
-            name='asym_fcj_1',
-            description='Finger-Cox-Jephcoat asymmetry parameter 1',
-            value_spec=AttributeSpec(
-                value=0.01,
-                type_=DataTypes.NUMERIC,
-                default=0.01,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_fcj_1',
-                ]
-            ),
-        )
-        self._asym_fcj_2: Parameter = Parameter(
-            name='asym_fcj_2',
-            description='Finger-Cox-Jephcoat asymmetry parameter 2',
-            value_spec=AttributeSpec(
-                value=0.02,
-                type_=DataTypes.NUMERIC,
-                default=0.02,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_fcj_2',
-                ]
-            ),
-        )
-
-    @property
-    def asym_fcj_1(self) -> Parameter:
-        """Get FCJ asymmetry parameter 1."""
-        return self._asym_fcj_1
-
-    @asym_fcj_1.setter
-    def asym_fcj_1(self, value: float) -> None:
-        """Set FCJ asymmetry parameter 1."""
-        self._asym_fcj_1.value = value
-
-    @property
-    def asym_fcj_2(self) -> Parameter:
-        """Get FCJ asymmetry parameter 2."""
-        return self._asym_fcj_2
-
-    @asym_fcj_2.setter
-    def asym_fcj_2(self, value: float) -> None:
-        """Set FCJ asymmetry parameter 2."""
-        self._asym_fcj_2.value = value
diff --git a/src/easydiffraction/experiments/categories/peak/factory.py b/src/easydiffraction/experiments/categories/peak/factory.py
deleted file mode 100644
index a0aabf10..00000000
--- a/src/easydiffraction/experiments/categories/peak/factory.py
+++ /dev/null
@@ -1,130 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from typing import Optional
-
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import PeakProfileTypeEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-
-
-# TODO: Consider inheriting from FactoryBase
-class PeakFactory:
-    """Factory for creating peak profile objects.
-
-    Lazily imports implementations to avoid circular dependencies and
-    selects the appropriate class based on scattering type, beam mode
-    and requested profile type.
-    """
-
-    ST = ScatteringTypeEnum
-    BM = BeamModeEnum
-    PPT = PeakProfileTypeEnum
-    _supported = None  # type: ignore[var-annotated]
-
-    @classmethod
-    def _supported_map(cls):
-        """Return nested mapping of supported profile classes.
-
-        Structure:
-            ``{ScatteringType: {BeamMode: {ProfileType: Class}}}``.
-        """
-        # Lazy import to avoid circular imports between
-        # base and cw/tof/pdf modules
-        if cls._supported is None:
-            from easydiffraction.experiments.categories.peak.cwl import CwlPseudoVoigt as CwPv
-            from easydiffraction.experiments.categories.peak.cwl import (
-                CwlSplitPseudoVoigt as CwSpv,
-            )
-            from easydiffraction.experiments.categories.peak.cwl import (
-                CwlThompsonCoxHastings as CwTch,
-            )
-            from easydiffraction.experiments.categories.peak.tof import TofPseudoVoigt as TofPv
-            from easydiffraction.experiments.categories.peak.tof import (
-                TofPseudoVoigtBackToBack as TofBtb,
-            )
-            from easydiffraction.experiments.categories.peak.tof import (
-                TofPseudoVoigtIkedaCarpenter as TofIc,
-            )
-            from easydiffraction.experiments.categories.peak.total import (
-                TotalGaussianDampedSinc as PdfGds,
-            )
-
-            cls._supported = {
-                cls.ST.BRAGG: {
-                    cls.BM.CONSTANT_WAVELENGTH: {
-                        cls.PPT.PSEUDO_VOIGT: CwPv,
-                        cls.PPT.SPLIT_PSEUDO_VOIGT: CwSpv,
-                        cls.PPT.THOMPSON_COX_HASTINGS: CwTch,
-                    },
-                    cls.BM.TIME_OF_FLIGHT: {
-                        cls.PPT.PSEUDO_VOIGT: TofPv,
-                        cls.PPT.PSEUDO_VOIGT_IKEDA_CARPENTER: TofIc,
-                        cls.PPT.PSEUDO_VOIGT_BACK_TO_BACK: TofBtb,
-                    },
-                },
-                cls.ST.TOTAL: {
-                    cls.BM.CONSTANT_WAVELENGTH: {
-                        cls.PPT.GAUSSIAN_DAMPED_SINC: PdfGds,
-                    },
-                    cls.BM.TIME_OF_FLIGHT: {
-                        cls.PPT.GAUSSIAN_DAMPED_SINC: PdfGds,
-                    },
-                },
-            }
-        return cls._supported
-
-    @classmethod
-    def create(
-        cls,
-        scattering_type: Optional[ScatteringTypeEnum] = None,
-        beam_mode: Optional[BeamModeEnum] = None,
-        profile_type: Optional[PeakProfileTypeEnum] = None,
-    ):
-        """Instantiate a peak profile for the given configuration.
-
-        Args:
-            scattering_type: Bragg or Total. Defaults to library
-                default.
-            beam_mode: CW or TOF. Defaults to library default.
-            profile_type: Concrete profile within the mode. If omitted,
-                a sensible default is chosen based on the other args.
-
-        Returns:
-            A newly created peak profile object.
-
-        Raises:
-            ValueError: If a requested option is not supported.
-        """
-        if beam_mode is None:
-            beam_mode = BeamModeEnum.default()
-        if scattering_type is None:
-            scattering_type = ScatteringTypeEnum.default()
-        if profile_type is None:
-            profile_type = PeakProfileTypeEnum.default(scattering_type, beam_mode)
-        supported = cls._supported_map()
-        supported_scattering_types = list(supported.keys())
-        if scattering_type not in supported_scattering_types:
-            raise ValueError(
-                f"Unsupported scattering type: '{scattering_type}'.\n"
-                f'Supported scattering types: {supported_scattering_types}'
-            )
-
-        supported_beam_modes = list(supported[scattering_type].keys())
-        if beam_mode not in supported_beam_modes:
-            raise ValueError(
-                f"Unsupported beam mode: '{beam_mode}' for scattering type: "
-                f"'{scattering_type}'.\n Supported beam modes: '{supported_beam_modes}'"
-            )
-
-        supported_profile_types = list(supported[scattering_type][beam_mode].keys())
-        if profile_type not in supported_profile_types:
-            raise ValueError(
-                f"Unsupported profile type '{profile_type}' for beam mode '{beam_mode}'.\n"
-                f'Supported profile types: {supported_profile_types}'
-            )
-
-        peak_class = supported[scattering_type][beam_mode][profile_type]
-        peak_obj = peak_class()
-
-        return peak_obj
diff --git a/src/easydiffraction/experiments/categories/peak/tof.py b/src/easydiffraction/experiments/categories/peak/tof.py
deleted file mode 100644
index b38c4548..00000000
--- a/src/easydiffraction/experiments/categories/peak/tof.py
+++ /dev/null
@@ -1,44 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Time-of-flight peak profile classes."""
-
-from easydiffraction.experiments.categories.peak.base import PeakBase
-from easydiffraction.experiments.categories.peak.tof_mixins import IkedaCarpenterAsymmetryMixin
-from easydiffraction.experiments.categories.peak.tof_mixins import TofBroadeningMixin
-
-
-class TofPseudoVoigt(
-    PeakBase,
-    TofBroadeningMixin,
-):
-    """Time-of-flight pseudo-Voigt peak shape."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_time_of_flight_broadening()
-
-
-class TofPseudoVoigtIkedaCarpenter(
-    PeakBase,
-    TofBroadeningMixin,
-    IkedaCarpenterAsymmetryMixin,
-):
-    """TOF pseudo-Voigt with Ikeda–Carpenter asymmetry."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_time_of_flight_broadening()
-        self._add_ikeda_carpenter_asymmetry()
-
-
-class TofPseudoVoigtBackToBack(
-    PeakBase,
-    TofBroadeningMixin,
-    IkedaCarpenterAsymmetryMixin,
-):
-    """TOF back-to-back pseudo-Voigt with asymmetry."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_time_of_flight_broadening()
-        self._add_ikeda_carpenter_asymmetry()
diff --git a/src/easydiffraction/experiments/categories/peak/tof_mixins.py b/src/easydiffraction/experiments/categories/peak/tof_mixins.py
deleted file mode 100644
index ca459754..00000000
--- a/src/easydiffraction/experiments/categories/peak/tof_mixins.py
+++ /dev/null
@@ -1,293 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Time-of-flight (TOF) peak-profile mixins.
-
-Defines mixins that add Gaussian/Lorentz broadening, mixing, and
-Ikeda–Carpenter asymmetry parameters used by TOF peak shapes.
-"""
-
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class TofBroadeningMixin:
-    """Mixin that adds TOF Gaussian/Lorentz broadening and mixing
-    terms.
-    """
-
-    def _add_time_of_flight_broadening(self) -> None:
-        """Create TOF broadening and mixing parameters."""
-        self._broad_gauss_sigma_0: Parameter = Parameter(
-            name='gauss_sigma_0',
-            description='Gaussian broadening coefficient (instrumental resolution)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs²',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.gauss_sigma_0',
-                ]
-            ),
-        )
-        self._broad_gauss_sigma_1: Parameter = Parameter(
-            name='gauss_sigma_1',
-            description='Gaussian broadening coefficient (dependent on d-spacing)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs/Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.gauss_sigma_1',
-                ]
-            ),
-        )
-        self._broad_gauss_sigma_2: Parameter = Parameter(
-            name='gauss_sigma_2',
-            description='Gaussian broadening coefficient (instrument-dependent term)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs²/Ų',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.gauss_sigma_2',
-                ]
-            ),
-        )
-        self._broad_lorentz_gamma_0: Parameter = Parameter(
-            name='lorentz_gamma_0',
-            description='Lorentzian broadening coefficient (dependent on microstrain effects)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.lorentz_gamma_0',
-                ]
-            ),
-        )
-        self._broad_lorentz_gamma_1: Parameter = Parameter(
-            name='lorentz_gamma_1',
-            description='Lorentzian broadening coefficient (dependent on d-spacing)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs/Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.lorentz_gamma_1',
-                ]
-            ),
-        )
-        self._broad_lorentz_gamma_2: Parameter = Parameter(
-            name='lorentz_gamma_2',
-            description='Lorentzian broadening coefficient (instrument-dependent term)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='µs²/Ų',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.lorentz_gamma_2',
-                ]
-            ),
-        )
-        self._broad_mix_beta_0: Parameter = Parameter(
-            name='mix_beta_0',
-            description='Mixing parameter. Defines the ratio of Gaussian '
-            'to Lorentzian contributions in TOF profiles',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.mix_beta_0',
-                ]
-            ),
-        )
-        self._broad_mix_beta_1: Parameter = Parameter(
-            name='mix_beta_1',
-            description='Mixing parameter. Defines the ratio of Gaussian '
-            'to Lorentzian contributions in TOF profiles',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='deg',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.mix_beta_1',
-                ]
-            ),
-        )
-
-    @property
-    def broad_gauss_sigma_0(self) -> Parameter:
-        """Get Gaussian sigma_0 parameter."""
-        return self._broad_gauss_sigma_0
-
-    @broad_gauss_sigma_0.setter
-    def broad_gauss_sigma_0(self, value: float) -> None:
-        """Set Gaussian sigma_0 parameter."""
-        self._broad_gauss_sigma_0.value = value
-
-    @property
-    def broad_gauss_sigma_1(self) -> Parameter:
-        """Get Gaussian sigma_1 parameter."""
-        return self._broad_gauss_sigma_1
-
-    @broad_gauss_sigma_1.setter
-    def broad_gauss_sigma_1(self, value: float) -> None:
-        """Set Gaussian sigma_1 parameter."""
-        self._broad_gauss_sigma_1.value = value
-
-    @property
-    def broad_gauss_sigma_2(self) -> Parameter:
-        """Get Gaussian sigma_2 parameter."""
-        return self._broad_gauss_sigma_2
-
-    @broad_gauss_sigma_2.setter
-    def broad_gauss_sigma_2(self, value: float) -> None:
-        """Set Gaussian sigma_2 parameter."""
-        self._broad_gauss_sigma_2.value = value
-
-    @property
-    def broad_lorentz_gamma_0(self) -> Parameter:
-        """Get Lorentz gamma_0 parameter."""
-        return self._broad_lorentz_gamma_0
-
-    @broad_lorentz_gamma_0.setter
-    def broad_lorentz_gamma_0(self, value: float) -> None:
-        """Set Lorentz gamma_0 parameter."""
-        self._broad_lorentz_gamma_0.value = value
-
-    @property
-    def broad_lorentz_gamma_1(self) -> Parameter:
-        """Get Lorentz gamma_1 parameter."""
-        return self._broad_lorentz_gamma_1
-
-    @broad_lorentz_gamma_1.setter
-    def broad_lorentz_gamma_1(self, value: float) -> None:
-        """Set Lorentz gamma_1 parameter."""
-        self._broad_lorentz_gamma_1.value = value
-
-    @property
-    def broad_lorentz_gamma_2(self) -> Parameter:
-        """Get Lorentz gamma_2 parameter."""
-        return self._broad_lorentz_gamma_2
-
-    @broad_lorentz_gamma_2.setter
-    def broad_lorentz_gamma_2(self, value: float) -> None:
-        """Set Lorentz gamma_2 parameter."""
-        self._broad_lorentz_gamma_2.value = value
-
-    @property
-    def broad_mix_beta_0(self) -> Parameter:
-        """Get mixing parameter beta_0."""
-        return self._broad_mix_beta_0
-
-    @broad_mix_beta_0.setter
-    def broad_mix_beta_0(self, value: float) -> None:
-        """Set mixing parameter beta_0."""
-        self._broad_mix_beta_0.value = value
-
-    @property
-    def broad_mix_beta_1(self) -> Parameter:
-        """Get mixing parameter beta_1."""
-        return self._broad_mix_beta_1
-
-    @broad_mix_beta_1.setter
-    def broad_mix_beta_1(self, value: float) -> None:
-        """Set mixing parameter beta_1."""
-        self._broad_mix_beta_1.value = value
-
-
-class IkedaCarpenterAsymmetryMixin:
-    """Mixin that adds Ikeda–Carpenter asymmetry parameters."""
-
-    def _add_ikeda_carpenter_asymmetry(self) -> None:
-        """Create Ikeda–Carpenter asymmetry parameters alpha_0 and
-        alpha_1.
-        """
-        self._asym_alpha_0: Parameter = Parameter(
-            name='asym_alpha_0',
-            description='Ikeda-Carpenter asymmetry parameter α₀',
-            value_spec=AttributeSpec(
-                value=0.01,
-                type_=DataTypes.NUMERIC,
-                default=0.01,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_alpha_0',
-                ]
-            ),
-        )
-        self._asym_alpha_1: Parameter = Parameter(
-            name='asym_alpha_1',
-            description='Ikeda-Carpenter asymmetry parameter α₁',
-            value_spec=AttributeSpec(
-                value=0.02,
-                type_=DataTypes.NUMERIC,
-                default=0.02,
-                content_validator=RangeValidator(),
-            ),
-            units='',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.asym_alpha_1',
-                ]
-            ),
-        )
-
-    @property
-    def asym_alpha_0(self) -> Parameter:
-        """Get Ikeda–Carpenter asymmetry alpha_0."""
-        return self._asym_alpha_0
-
-    @asym_alpha_0.setter
-    def asym_alpha_0(self, value: float) -> None:
-        """Set Ikeda–Carpenter asymmetry alpha_0."""
-        self._asym_alpha_0.value = value
-
-    @property
-    def asym_alpha_1(self) -> Parameter:
-        """Get Ikeda–Carpenter asymmetry alpha_1."""
-        return self._asym_alpha_1
-
-    @asym_alpha_1.setter
-    def asym_alpha_1(self, value: float) -> None:
-        """Set Ikeda–Carpenter asymmetry alpha_1."""
-        self._asym_alpha_1.value = value
diff --git a/src/easydiffraction/experiments/categories/peak/total.py b/src/easydiffraction/experiments/categories/peak/total.py
deleted file mode 100644
index e1f7c28c..00000000
--- a/src/easydiffraction/experiments/categories/peak/total.py
+++ /dev/null
@@ -1,17 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Total-scattering (PDF) peak profile classes."""
-
-from easydiffraction.experiments.categories.peak.base import PeakBase
-from easydiffraction.experiments.categories.peak.total_mixins import TotalBroadeningMixin
-
-
-class TotalGaussianDampedSinc(
-    PeakBase,
-    TotalBroadeningMixin,
-):
-    """Gaussian-damped sinc peak for total scattering (PDF)."""
-
-    def __init__(self) -> None:
-        super().__init__()
-        self._add_pair_distribution_function_broadening()
diff --git a/src/easydiffraction/experiments/categories/peak/total_mixins.py b/src/easydiffraction/experiments/categories/peak/total_mixins.py
deleted file mode 100644
index 03907ffa..00000000
--- a/src/easydiffraction/experiments/categories/peak/total_mixins.py
+++ /dev/null
@@ -1,181 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Total scattering/PDF peak-profile mixins.
-
-Adds damping, broadening, sharpening and envelope parameters used in
-pair distribution function (PDF) modeling.
-"""
-
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class TotalBroadeningMixin:
-    """Mixin adding PDF broadening/damping/sharpening parameters."""
-
-    def _add_pair_distribution_function_broadening(self):
-        """Create PDF parameters: damp_q, broad_q, cutoff_q,
-        sharp deltas, and particle diameter envelope.
-        """
-        self._damp_q: Parameter = Parameter(
-            name='damp_q',
-            description='Instrumental Q-resolution damping factor '
-            '(affects high-r PDF peak amplitude)',
-            value_spec=AttributeSpec(
-                value=0.05,
-                type_=DataTypes.NUMERIC,
-                default=0.05,
-                content_validator=RangeValidator(),
-            ),
-            units='Å⁻¹',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.damp_q',
-                ]
-            ),
-        )
-        self._broad_q: Parameter = Parameter(
-            name='broad_q',
-            description='Quadratic PDF peak broadening coefficient '
-            '(thermal and model uncertainty contribution)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='Å⁻²',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.broad_q',
-                ]
-            ),
-        )
-        self._cutoff_q: Parameter = Parameter(
-            name='cutoff_q',
-            description='Q-value cutoff applied to model PDF for Fourier '
-            'transform (controls real-space resolution)',
-            value_spec=AttributeSpec(
-                value=25.0,
-                type_=DataTypes.NUMERIC,
-                default=25.0,
-                content_validator=RangeValidator(),
-            ),
-            units='Å⁻¹',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.cutoff_q',
-                ]
-            ),
-        )
-        self._sharp_delta_1: Parameter = Parameter(
-            name='sharp_delta_1',
-            description='PDF peak sharpening coefficient (1/r dependence)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.sharp_delta_1',
-                ]
-            ),
-        )
-        self._sharp_delta_2: Parameter = Parameter(
-            name='sharp_delta_2',
-            description='PDF peak sharpening coefficient (1/r² dependence)',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='Ų',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.sharp_delta_2',
-                ]
-            ),
-        )
-        self._damp_particle_diameter: Parameter = Parameter(
-            name='damp_particle_diameter',
-            description='Particle diameter for spherical envelope damping correction in PDF',
-            value_spec=AttributeSpec(
-                value=0.0,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            units='Å',
-            cif_handler=CifHandler(
-                names=[
-                    '_peak.damp_particle_diameter',
-                ]
-            ),
-        )
-
-    @property
-    def damp_q(self) -> Parameter:
-        """Get Q-resolution damping factor."""
-        return self._damp_q
-
-    @damp_q.setter
-    def damp_q(self, value: float) -> None:
-        """Set Q-resolution damping factor."""
-        self._damp_q.value = value
-
-    @property
-    def broad_q(self) -> Parameter:
-        """Get quadratic PDF broadening coefficient."""
-        return self._broad_q
-
-    @broad_q.setter
-    def broad_q(self, value: float) -> None:
-        """Set quadratic PDF broadening coefficient."""
-        self._broad_q.value = value
-
-    @property
-    def cutoff_q(self) -> Parameter:
-        """Get Q cutoff used for Fourier transform."""
-        return self._cutoff_q
-
-    @cutoff_q.setter
-    def cutoff_q(self, value: float) -> None:
-        """Set Q cutoff used for Fourier transform."""
-        self._cutoff_q.value = value
-
-    @property
-    def sharp_delta_1(self) -> Parameter:
-        """Get sharpening coefficient with 1/r dependence."""
-        return self._sharp_delta_1
-
-    @sharp_delta_1.setter
-    def sharp_delta_1(self, value: float) -> None:
-        """Set sharpening coefficient with 1/r dependence."""
-        self._sharp_delta_1.value = value
-
-    @property
-    def sharp_delta_2(self) -> Parameter:
-        """Get sharpening coefficient with 1/r^2 dependence."""
-        return self._sharp_delta_2
-
-    @sharp_delta_2.setter
-    def sharp_delta_2(self, value: float) -> None:
-        """Set sharpening coefficient with 1/r^2 dependence."""
-        self._sharp_delta_2.value = value
-
-    @property
-    def damp_particle_diameter(self) -> Parameter:
-        """Get particle diameter for spherical envelope damping."""
-        return self._damp_particle_diameter
-
-    @damp_particle_diameter.setter
-    def damp_particle_diameter(self, value: float) -> None:
-        """Set particle diameter for spherical envelope damping."""
-        self._damp_particle_diameter.value = value
diff --git a/src/easydiffraction/experiments/experiment/__init__.py b/src/easydiffraction/experiments/experiment/__init__.py
deleted file mode 100644
index a2a39eea..00000000
--- a/src/easydiffraction/experiments/experiment/__init__.py
+++ /dev/null
@@ -1,16 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from easydiffraction.experiments.experiment.base import ExperimentBase
-from easydiffraction.experiments.experiment.base import PdExperimentBase
-from easydiffraction.experiments.experiment.bragg_pd import BraggPdExperiment
-from easydiffraction.experiments.experiment.bragg_sc import BraggScExperiment
-from easydiffraction.experiments.experiment.total_pd import TotalPdExperiment
-
-__all__ = [
-    'ExperimentBase',
-    'PdExperimentBase',
-    'BraggPdExperiment',
-    'TotalPdExperiment',
-    'BraggScExperiment',
-]
diff --git a/src/easydiffraction/experiments/experiment/base.py b/src/easydiffraction/experiments/experiment/base.py
deleted file mode 100644
index 35ed7b1d..00000000
--- a/src/easydiffraction/experiments/experiment/base.py
+++ /dev/null
@@ -1,264 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from abc import abstractmethod
-from typing import TYPE_CHECKING
-from typing import Any
-from typing import List
-
-from easydiffraction.core.datablock import DatablockItem
-from easydiffraction.experiments.categories.data.factory import DataFactory
-from easydiffraction.experiments.categories.excluded_regions import ExcludedRegions
-from easydiffraction.experiments.categories.linked_phases import LinkedPhases
-from easydiffraction.experiments.categories.peak.factory import PeakFactory
-from easydiffraction.experiments.categories.peak.factory import PeakProfileTypeEnum
-from easydiffraction.io.cif.serialize import experiment_to_cif
-from easydiffraction.utils.logging import console
-from easydiffraction.utils.logging import log
-from easydiffraction.utils.utils import render_cif
-from easydiffraction.utils.utils import render_table
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.experiment_type import ExperimentType
-    from easydiffraction.sample_models.sample_models import SampleModels
-
-
-class ExperimentBase(DatablockItem):
-    """Base class for all experiments with only core attributes.
-
-    Wraps experiment type and instrument.
-    """
-
-    def __init__(
-        self,
-        *,
-        name: str,
-        type: ExperimentType,
-    ):
-        super().__init__()
-        self._name = name
-        self._type = type
-        # TODO: Should return default calculator based on experiment
-        #  type
-        from easydiffraction.analysis.calculators.factory import CalculatorFactory
-
-        self._calculator = CalculatorFactory.create_calculator('cryspy')
-        self._identity.datablock_entry_name = lambda: self.name
-
-    @property
-    def name(self) -> str:
-        """Human-readable name of the experiment."""
-        return self._name
-
-    @name.setter
-    def name(self, new: str) -> None:
-        """Rename the experiment.
-
-        Args:
-            new: New name for this experiment.
-        """
-        self._name = new
-
-    @property
-    def type(self):  # TODO: Consider another name
-        """Experiment type descriptor (sample form, probe, beam
-        mode).
-        """
-        return self._type
-
-    @property
-    def calculator(self):
-        """Calculator engine used for pattern calculations."""
-        return self._calculator
-
-    @property
-    def as_cif(self) -> str:
-        """Serialize this experiment to a CIF fragment."""
-        return experiment_to_cif(self)
-
-    def show_as_cif(self) -> None:
-        """Pretty-print the experiment as CIF text."""
-        experiment_cif = super().as_cif
-        paragraph_title: str = f"Experiment 🔬 '{self.name}' as cif"
-        console.paragraph(paragraph_title)
-        render_cif(experiment_cif)
-
-    @abstractmethod
-    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
-        """Load ASCII data from file into the experiment data category.
-
-        Args:
-            data_path: Path to the ASCII file to load.
-        """
-        raise NotImplementedError()
-
-
-class PdExperimentBase(ExperimentBase):
-    """Base class for all powder experiments."""
-
-    def __init__(
-        self,
-        *,
-        name: str,
-        type: ExperimentType,
-    ) -> None:
-        super().__init__(name=name, type=type)
-
-        self._linked_phases: LinkedPhases = LinkedPhases()
-        self._excluded_regions: ExcludedRegions = ExcludedRegions()
-
-        self._peak_profile_type: PeakProfileTypeEnum = PeakProfileTypeEnum.default(
-            self.type.scattering_type.value,
-            self.type.beam_mode.value,
-        )
-        self._peak = PeakFactory.create(
-            scattering_type=self.type.scattering_type.value,
-            beam_mode=self.type.beam_mode.value,
-            profile_type=self._peak_profile_type,
-        )
-
-        self._data = DataFactory.create(
-            sample_form=self.type.sample_form.value,
-            beam_mode=self.type.beam_mode.value,
-            scattering_type=self.type.scattering_type.value,
-        )
-
-    def _get_valid_linked_phases(
-        self,
-        sample_models: SampleModels,
-    ) -> List[Any]:
-        """Get valid linked phases for this experiment.
-
-        Args:
-            sample_models: Collection of sample models.
-
-        Returns:
-            A list of valid linked phases.
-        """
-        if not self.linked_phases:
-            print('Warning: No linked phases defined. Returning empty pattern.')
-            return []
-
-        valid_linked_phases = []
-        for linked_phase in self.linked_phases:
-            if linked_phase._identity.category_entry_name not in sample_models.names:
-                print(
-                    f"Warning: Linked phase '{linked_phase.id.value}' not "
-                    f'found in Sample Models {sample_models.names}. Skipping it.'
-                )
-                continue
-            valid_linked_phases.append(linked_phase)
-
-        if not valid_linked_phases:
-            print(
-                'Warning: None of the linked phases found in Sample '
-                'Models. Returning empty pattern.'
-            )
-
-        return valid_linked_phases
-
-    @abstractmethod
-    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
-        """Load powder diffraction data from an ASCII file.
-
-        Args:
-            data_path: Path to data file with columns compatible with
-                the beam mode (e.g. 2θ/I/σ for CWL, TOF/I/σ for TOF).
-        """
-        pass
-
-    @property
-    def linked_phases(self):
-        """Collection of phases linked to this experiment."""
-        return self._linked_phases
-
-    @property
-    def excluded_regions(self):
-        """Collection of excluded regions for the x-grid."""
-        return self._excluded_regions
-
-    @property
-    def peak(self) -> str:
-        """Peak category object with profile parameters and mixins."""
-        return self._peak
-
-    @peak.setter
-    def peak(self, value):
-        """Replace the peak model used for this powder experiment.
-
-        Args:
-            value: New peak object created by the `PeakFactory`.
-        """
-        self._peak = value
-
-    @property
-    def data(self):
-        return self._data
-
-    @property
-    def peak_profile_type(self):
-        """Currently selected peak profile type enum."""
-        return self._peak_profile_type
-
-    @peak_profile_type.setter
-    def peak_profile_type(self, new_type: str | PeakProfileTypeEnum):
-        """Change the active peak profile type, if supported.
-
-        Args:
-            new_type: New profile type as enum or its string value.
-        """
-        if isinstance(new_type, str):
-            try:
-                new_type = PeakProfileTypeEnum(new_type)
-            except ValueError:
-                log.warning(f"Unknown peak profile type '{new_type}'")
-                return
-
-        supported_types = list(
-            PeakFactory._supported[self.type.scattering_type.value][
-                self.type.beam_mode.value
-            ].keys()
-        )
-
-        if new_type not in supported_types:
-            log.warning(
-                f"Unsupported peak profile '{new_type.value}', "
-                f'Supported peak profiles: {supported_types}',
-                "For more information, use 'show_supported_peak_profile_types()'",
-            )
-            return
-
-        self._peak = PeakFactory.create(
-            scattering_type=self.type.scattering_type.value,
-            beam_mode=self.type.beam_mode.value,
-            profile_type=new_type,
-        )
-        self._peak_profile_type = new_type
-        console.paragraph(f"Peak profile type for experiment '{self.name}' changed to")
-        console.print(new_type.value)
-
-    def show_supported_peak_profile_types(self):
-        """Print available peak profile types for this experiment."""
-        columns_headers = ['Peak profile type', 'Description']
-        columns_alignment = ['left', 'left']
-        columns_data = []
-
-        scattering_type = self.type.scattering_type.value
-        beam_mode = self.type.beam_mode.value
-
-        for profile_type in PeakFactory._supported[scattering_type][beam_mode]:
-            columns_data.append([profile_type.value, profile_type.description()])
-
-        console.paragraph('Supported peak profile types')
-        render_table(
-            columns_headers=columns_headers,
-            columns_alignment=columns_alignment,
-            columns_data=columns_data,
-        )
-
-    def show_current_peak_profile_type(self):
-        """Print the currently selected peak profile type."""
-        console.paragraph('Current peak profile type')
-        console.print(self.peak_profile_type)
diff --git a/src/easydiffraction/experiments/experiment/bragg_pd.py b/src/easydiffraction/experiments/experiment/bragg_pd.py
deleted file mode 100644
index 3821419a..00000000
--- a/src/easydiffraction/experiments/experiment/bragg_pd.py
+++ /dev/null
@@ -1,134 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
-import numpy as np
-
-from easydiffraction.experiments.categories.background.enums import BackgroundTypeEnum
-from easydiffraction.experiments.categories.background.factory import BackgroundFactory
-from easydiffraction.experiments.experiment.base import PdExperimentBase
-from easydiffraction.experiments.experiment.instrument_mixin import InstrumentMixin
-from easydiffraction.utils.logging import console
-from easydiffraction.utils.logging import log
-from easydiffraction.utils.utils import render_table
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.experiment_type import ExperimentType
-
-
-class BraggPdExperiment(InstrumentMixin, PdExperimentBase):
-    """Powder diffraction experiment.
-
-    Wraps background model, peak profile and linked phases for Bragg PD.
-    """
-
-    def __init__(
-        self,
-        *,
-        name: str,
-        type: ExperimentType,
-    ) -> None:
-        super().__init__(name=name, type=type)
-
-        self._background_type: BackgroundTypeEnum = BackgroundTypeEnum.default()
-        self._background = BackgroundFactory.create(background_type=self.background_type)
-
-    @property
-    def background(self):
-        return self._background
-
-    @background.setter
-    def background(self, value):
-        self._background = value
-
-    # -------------
-    # Measured data
-    # -------------
-
-    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
-        """Load (x, y, sy) data from an ASCII file into the data
-        category.
-
-        The file format is space/column separated with 2 or 3 columns:
-        ``x y [sy]``. If ``sy`` is missing, it is approximated as
-        ``sqrt(y)`` with small values clamped to ``1.0``.
-        """
-        try:
-            data = np.loadtxt(data_path)
-        except Exception as e:
-            raise IOError(f'Failed to read data from {data_path}: {e}') from e
-
-        if data.shape[1] < 2:
-            raise ValueError('Data file must have at least two columns: x and y.')
-
-        if data.shape[1] < 3:
-            print('Warning: No uncertainty (sy) column provided. Defaulting to sqrt(y).')
-
-        # Extract x, y data
-        x: np.ndarray = data[:, 0]
-        y: np.ndarray = data[:, 1]
-
-        # Round x to 4 decimal places
-        x = np.round(x, 4)
-
-        # Determine sy from column 3 if available, otherwise use sqrt(y)
-        sy: np.ndarray = data[:, 2] if data.shape[1] > 2 else np.sqrt(y)
-
-        # Replace values smaller than 0.0001 with 1.0
-        sy = np.where(sy < 0.0001, 1.0, sy)
-
-        # Set the experiment data
-        self.data._set_x(x)
-        self.data._set_meas(y)
-        self.data._set_meas_su(sy)
-
-        console.paragraph('Data loaded successfully')
-        console.print(f"Experiment 🔬 '{self.name}'. Number of data points: {len(x)}")
-
-    @property
-    def background_type(self):
-        """Current background type enum value."""
-        return self._background_type
-
-    @background_type.setter
-    def background_type(self, new_type):
-        """Set and apply a new background type.
-
-        Falls back to printing supported types if the new value is not
-        supported.
-        """
-        if new_type not in BackgroundFactory._supported_map():
-            supported_types = list(BackgroundFactory._supported_map().keys())
-            log.warning(
-                f"Unknown background type '{new_type}'. "
-                f'Supported background types: {[bt.value for bt in supported_types]}. '
-                f"For more information, use 'show_supported_background_types()'"
-            )
-            return
-        self.background = BackgroundFactory.create(new_type)
-        self._background_type = new_type
-        console.paragraph(f"Background type for experiment '{self.name}' changed to")
-        console.print(new_type)
-
-    def show_supported_background_types(self):
-        """Print a table of supported background types."""
-        columns_headers = ['Background type', 'Description']
-        columns_alignment = ['left', 'left']
-        columns_data = []
-        for bt in BackgroundFactory._supported_map():
-            columns_data.append([bt.value, bt.description()])
-
-        console.paragraph('Supported background types')
-        render_table(
-            columns_headers=columns_headers,
-            columns_alignment=columns_alignment,
-            columns_data=columns_data,
-        )
-
-    def show_current_background_type(self):
-        """Print the currently used background type."""
-        console.paragraph('Current background type')
-        console.print(self.background_type)
diff --git a/src/easydiffraction/experiments/experiment/bragg_sc.py b/src/easydiffraction/experiments/experiment/bragg_sc.py
deleted file mode 100644
index 6b95d559..00000000
--- a/src/easydiffraction/experiments/experiment/bragg_sc.py
+++ /dev/null
@@ -1,28 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Single crystal experiment types and helpers."""
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
-from easydiffraction.experiments.experiment.base import ExperimentBase
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.experiment_type import ExperimentType
-
-
-class BraggScExperiment(ExperimentBase):
-    """Single crystal experiment class with specific attributes."""
-
-    def __init__(
-        self,
-        *,
-        name: str,
-        type: ExperimentType,
-    ) -> None:
-        super().__init__(name=name, type=type)
-        self.linked_crystal = None
-
-    def show_meas_chart(self) -> None:
-        print('Showing measured data chart is not implemented yet.')
diff --git a/src/easydiffraction/experiments/experiment/factory.py b/src/easydiffraction/experiments/experiment/factory.py
deleted file mode 100644
index 0db5e347..00000000
--- a/src/easydiffraction/experiments/experiment/factory.py
+++ /dev/null
@@ -1,181 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
-from easydiffraction.core.factory import FactoryBase
-from easydiffraction.experiments.categories.experiment_type import ExperimentType
-from easydiffraction.experiments.experiment import BraggPdExperiment
-from easydiffraction.experiments.experiment import BraggScExperiment
-from easydiffraction.experiments.experiment import TotalPdExperiment
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-from easydiffraction.experiments.experiment.enums import SampleFormEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-from easydiffraction.io.cif.parse import document_from_path
-from easydiffraction.io.cif.parse import document_from_string
-from easydiffraction.io.cif.parse import name_from_block
-from easydiffraction.io.cif.parse import pick_sole_block
-
-if TYPE_CHECKING:
-    import gemmi
-
-    from easydiffraction.experiments.experiment.base import ExperimentBase
-
-
-class ExperimentFactory(FactoryBase):
-    """Creates Experiment instances with only relevant attributes."""
-
-    _ALLOWED_ARG_SPECS = [
-        {'required': ['cif_path'], 'optional': []},
-        {'required': ['cif_str'], 'optional': []},
-        {
-            'required': ['name', 'data_path'],
-            'optional': ['sample_form', 'beam_mode', 'radiation_probe', 'scattering_type'],
-        },
-        {
-            'required': ['name'],
-            'optional': ['sample_form', 'beam_mode', 'radiation_probe', 'scattering_type'],
-        },
-    ]
-
-    _SUPPORTED = {
-        ScatteringTypeEnum.BRAGG: {
-            SampleFormEnum.POWDER: BraggPdExperiment,
-            SampleFormEnum.SINGLE_CRYSTAL: BraggScExperiment,
-        },
-        ScatteringTypeEnum.TOTAL: {
-            SampleFormEnum.POWDER: TotalPdExperiment,
-        },
-    }
-
-    @classmethod
-    def _make_experiment_type(cls, kwargs):
-        """Helper to construct an ExperimentType from keyword arguments,
-        using defaults as needed.
-        """
-        # TODO: Defaults are already in the experiment type...
-        # TODO: Merging with experiment_type_from_block from
-        #  io.cif.parse
-        return ExperimentType(
-            sample_form=kwargs.get('sample_form', SampleFormEnum.default().value),
-            beam_mode=kwargs.get('beam_mode', BeamModeEnum.default().value),
-            radiation_probe=kwargs.get('radiation_probe', RadiationProbeEnum.default().value),
-            scattering_type=kwargs.get('scattering_type', ScatteringTypeEnum.default().value),
-        )
-
-    # TODO: Move to a common CIF utility module? io.cif.parse?
-    @classmethod
-    def _create_from_gemmi_block(
-        cls,
-        block: gemmi.cif.Block,
-    ) -> ExperimentBase:
-        """Build a model instance from a single CIF block."""
-        name = name_from_block(block)
-
-        # TODO: move to io.cif.parse?
-        expt_type = ExperimentType()
-        for param in expt_type.parameters:
-            param.from_cif(block)
-
-        # Create experiment instance of appropriate class
-        # TODO: make helper method to create experiment from type
-        scattering_type = expt_type.scattering_type.value
-        sample_form = expt_type.sample_form.value
-        expt_class = cls._SUPPORTED[scattering_type][sample_form]
-        expt_obj = expt_class(name=name, type=expt_type)
-
-        # Read all categories from CIF block
-        # TODO: move to io.cif.parse?
-        for category in expt_obj.categories:
-            category.from_cif(block)
-
-        return expt_obj
-
-    @classmethod
-    def _create_from_cif_path(
-        cls,
-        cif_path: str,
-    ) -> ExperimentBase:
-        """Create an experiment from a CIF file path."""
-        doc = document_from_path(cif_path)
-        block = pick_sole_block(doc)
-        return cls._create_from_gemmi_block(block)
-
-    @classmethod
-    def _create_from_cif_str(
-        cls,
-        cif_str: str,
-    ) -> ExperimentBase:
-        """Create an experiment from a CIF string."""
-        doc = document_from_string(cif_str)
-        block = pick_sole_block(doc)
-        return cls._create_from_gemmi_block(block)
-
-    @classmethod
-    def _create_from_data_path(cls, kwargs):
-        """Create an experiment from a raw data ASCII file.
-
-        Loads the experiment and attaches measured data from the
-        specified file.
-        """
-        expt_type = cls._make_experiment_type(kwargs)
-        scattering_type = expt_type.scattering_type.value
-        sample_form = expt_type.sample_form.value
-        expt_class = cls._SUPPORTED[scattering_type][sample_form]
-        expt_name = kwargs['name']
-        expt_obj = expt_class(name=expt_name, type=expt_type)
-        data_path = kwargs['data_path']
-        expt_obj._load_ascii_data_to_experiment(data_path)
-        return expt_obj
-
-    @classmethod
-    def _create_without_data(cls, kwargs):
-        """Create an experiment without measured data.
-
-        Returns an experiment instance with only metadata and
-        configuration.
-        """
-        expt_type = cls._make_experiment_type(kwargs)
-        scattering_type = expt_type.scattering_type.value
-        sample_form = expt_type.sample_form.value
-        expt_class = cls._SUPPORTED[scattering_type][sample_form]
-        expt_name = kwargs['name']
-        expt_obj = expt_class(name=expt_name, type=expt_type)
-        return expt_obj
-
-    @classmethod
-    def create(cls, **kwargs):
-        """Create an `ExperimentBase` using a validated argument
-        combination.
-        """
-        # TODO: move to FactoryBase
-        # Check for valid argument combinations
-        user_args = {k for k, v in kwargs.items() if v is not None}
-        cls._validate_args(
-            present=user_args,
-            allowed_specs=cls._ALLOWED_ARG_SPECS,
-            factory_name=cls.__name__,  # TODO: move to FactoryBase
-        )
-
-        # Validate enum arguments if provided
-        if 'sample_form' in kwargs:
-            SampleFormEnum(kwargs['sample_form'])
-        if 'beam_mode' in kwargs:
-            BeamModeEnum(kwargs['beam_mode'])
-        if 'radiation_probe' in kwargs:
-            RadiationProbeEnum(kwargs['radiation_probe'])
-        if 'scattering_type' in kwargs:
-            ScatteringTypeEnum(kwargs['scattering_type'])
-
-        # Dispatch to the appropriate creation method
-        if 'cif_path' in kwargs:
-            return cls._create_from_cif_path(kwargs['cif_path'])
-        elif 'cif_str' in kwargs:
-            return cls._create_from_cif_str(kwargs['cif_str'])
-        elif 'data_path' in kwargs:
-            return cls._create_from_data_path(kwargs)
-        elif 'name' in kwargs:
-            return cls._create_without_data(kwargs)
diff --git a/src/easydiffraction/experiments/experiment/instrument_mixin.py b/src/easydiffraction/experiments/experiment/instrument_mixin.py
deleted file mode 100644
index c83c07bc..00000000
--- a/src/easydiffraction/experiments/experiment/instrument_mixin.py
+++ /dev/null
@@ -1,46 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
-from typeguard import typechecked
-
-from easydiffraction.experiments.categories.instrument.factory import InstrumentFactory
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.instrument.base import InstrumentBase
-
-
-class InstrumentMixin:
-    """Mixin that wires an experiment to an instrument category.
-
-    Creates a default instrument via `InstrumentFactory` using the
-    experiment type (scattering type and beam mode) at initialization.
-    """
-
-    def __init__(self, *args, **kwargs):
-        expt_type = kwargs.get('type')
-        super().__init__(*args, **kwargs)
-        self._instrument = InstrumentFactory.create(
-            scattering_type=expt_type.scattering_type.value,
-            beam_mode=expt_type.beam_mode.value,
-        )
-
-    @property
-    def instrument(self):
-        """Instrument category object associated with the experiment."""
-        return self._instrument
-
-    @instrument.setter
-    @typechecked
-    def instrument(self, new_instrument: InstrumentBase):
-        """Replace the instrument and re-parent it to this experiment.
-
-        Args:
-            new_instrument: Instrument instance compatible with the
-                experiment type.
-        """
-        self._instrument = new_instrument
-        self._instrument._parent = self
diff --git a/src/easydiffraction/experiments/experiment/total_pd.py b/src/easydiffraction/experiments/experiment/total_pd.py
deleted file mode 100644
index 2f2f5f89..00000000
--- a/src/easydiffraction/experiments/experiment/total_pd.py
+++ /dev/null
@@ -1,59 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
-import numpy as np
-
-from easydiffraction.experiments.experiment.base import PdExperimentBase
-from easydiffraction.utils.logging import console
-
-if TYPE_CHECKING:
-    from easydiffraction.experiments.categories.experiment_type import ExperimentType
-
-
-class TotalPdExperiment(PdExperimentBase):
-    """PDF experiment class with specific attributes."""
-
-    def __init__(
-        self,
-        name: str,
-        type: ExperimentType,
-    ):
-        super().__init__(name=name, type=type)
-
-    def _load_ascii_data_to_experiment(self, data_path):
-        """Loads x, y, sy values from an ASCII data file into the
-        experiment.
-
-        The file must be structured as:
-            x  y  sy
-        """
-        try:
-            from diffpy.utils.parsers.loaddata import loadData
-        except ImportError:
-            raise ImportError('diffpy module not found.') from None
-        try:
-            data = loadData(data_path)
-        except Exception as e:
-            raise IOError(f'Failed to read data from {data_path}: {e}') from e
-
-        if data.shape[1] < 2:
-            raise ValueError('Data file must have at least two columns: x and y.')
-
-        default_sy = 0.03
-        if data.shape[1] < 3:
-            print(f'Warning: No uncertainty (sy) column provided. Defaulting to {default_sy}.')
-
-        x = data[:, 0]
-        y = data[:, 1]
-        sy = data[:, 2] if data.shape[1] > 2 else np.full_like(y, fill_value=default_sy)
-
-        self.data._set_x(x)
-        self.data._set_meas(y)
-        self.data._set_meas_su(sy)
-
-        console.paragraph('Data loaded successfully')
-        console.print(f"Experiment 🔬 '{self.name}'. Number of data points: {len(x)}")
diff --git a/src/easydiffraction/experiments/experiments.py b/src/easydiffraction/experiments/experiments.py
deleted file mode 100644
index 9f58a3b7..00000000
--- a/src/easydiffraction/experiments/experiments.py
+++ /dev/null
@@ -1,134 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from typeguard import typechecked
-
-from easydiffraction.core.datablock import DatablockCollection
-from easydiffraction.experiments.experiment.base import ExperimentBase
-from easydiffraction.experiments.experiment.factory import ExperimentFactory
-from easydiffraction.utils.logging import console
-
-
-class Experiments(DatablockCollection):
-    """Collection of Experiment data blocks.
-
-    Provides convenience constructors for common creation patterns and
-    helper methods for simple presentation of collection contents.
-    """
-
-    def __init__(self) -> None:
-        super().__init__(item_type=ExperimentBase)
-
-    # --------------------
-    # Add / Remove methods
-    # --------------------
-
-    # TODO: Move to DatablockCollection?
-    # TODO: Disallow args and only allow kwargs?
-    def add(self, **kwargs):
-        experiment = kwargs.pop('experiment', None)
-
-        if experiment is None:
-            experiment = ExperimentFactory.create(**kwargs)
-
-        self._add(experiment)
-
-    # @typechecked
-    # def add_from_cif_path(self, cif_path: str):
-    #    """Add an experiment from a CIF file path.
-    #
-    #    Args:
-    #        cif_path: Path to a CIF document.
-    #    """
-    #    experiment = ExperimentFactory.create(cif_path=cif_path)
-    #    self.add(experiment)
-
-    # @typechecked
-    # def add_from_cif_str(self, cif_str: str):
-    #    """Add an experiment from a CIF string.
-    #
-    #    Args:
-    #        cif_str: Full CIF document as a string.
-    #    """
-    #    experiment = ExperimentFactory.create(cif_str=cif_str)
-    #    self.add(experiment)
-
-    # @typechecked
-    # def add_from_data_path(
-    #    self,
-    #    name: str,
-    #    data_path: str,
-    #    sample_form: str = SampleFormEnum.default().value,
-    #    beam_mode: str = BeamModeEnum.default().value,
-    #    radiation_probe: str = RadiationProbeEnum.default().value,
-    #    scattering_type: str = ScatteringTypeEnum.default().value,
-    # ):
-    #    """Add an experiment from a data file path.
-    #
-    #    Args:
-    #        name: Experiment identifier.
-    #        data_path: Path to the measured data file.
-    #        sample_form: Sample form (powder or single crystal).
-    #        beam_mode: Beam mode (constant wavelength or TOF).
-    #        radiation_probe: Radiation probe (neutron or xray).
-    #        scattering_type: Scattering type (bragg or total).
-    #    """
-    #    experiment = ExperimentFactory.create(
-    #        name=name,
-    #        data_path=data_path,
-    #        sample_form=sample_form,
-    #        beam_mode=beam_mode,
-    #        radiation_probe=radiation_probe,
-    #        scattering_type=scattering_type,
-    #    )
-    #    self.add(experiment)
-
-    # @typechecked
-    # def add_without_data(
-    #    self,
-    #    name: str,
-    #    sample_form: str = SampleFormEnum.default().value,
-    #    beam_mode: str = BeamModeEnum.default().value,
-    #    radiation_probe: str = RadiationProbeEnum.default().value,
-    #    scattering_type: str = ScatteringTypeEnum.default().value,
-    # ):
-    #    """Add an experiment without associating a data file.
-    #
-    #    Args:
-    #        name: Experiment identifier.
-    #        sample_form: Sample form (powder or single crystal).
-    #        beam_mode: Beam mode (constant wavelength or TOF).
-    #        radiation_probe: Radiation probe (neutron or xray).
-    #        scattering_type: Scattering type (bragg or total).
-    #    """
-    #    experiment = ExperimentFactory.create(
-    #        name=name,
-    #        sample_form=sample_form,
-    #        beam_mode=beam_mode,
-    #        radiation_probe=radiation_probe,
-    #        scattering_type=scattering_type,
-    #    )
-    #    self.add(experiment)
-
-    # TODO: Move to DatablockCollection?
-    @typechecked
-    def remove(self, name: str) -> None:
-        """Remove an experiment by name if it exists."""
-        if name in self:
-            del self[name]
-
-    # ------------
-    # Show methods
-    # ------------
-
-    # TODO: Move to DatablockCollection?
-    def show_names(self) -> None:
-        """Print the list of experiment names."""
-        console.paragraph('Defined experiments' + ' 🔬')
-        console.print(self.names)
-
-    # TODO: Move to DatablockCollection?
-    def show_params(self) -> None:
-        """Print parameters for each experiment in the collection."""
-        for exp in self.values():
-            exp.show_params()
diff --git a/src/easydiffraction/io/__init__.py b/src/easydiffraction/io/__init__.py
index 429f2648..6ce45a95 100644
--- a/src/easydiffraction/io/__init__.py
+++ b/src/easydiffraction/io/__init__.py
@@ -1,2 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.io.ascii import extract_data_paths_from_dir
+from easydiffraction.io.ascii import extract_data_paths_from_zip
+from easydiffraction.io.ascii import extract_metadata
+from easydiffraction.io.ascii import load_numeric_block
diff --git a/src/easydiffraction/io/ascii.py b/src/easydiffraction/io/ascii.py
new file mode 100644
index 00000000..6987d217
--- /dev/null
+++ b/src/easydiffraction/io/ascii.py
@@ -0,0 +1,182 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Helpers for loading numeric data from ASCII files."""
+
+from __future__ import annotations
+
+import tempfile
+import zipfile
+from io import StringIO
+from pathlib import Path
+
+import numpy as np
+
+
+def extract_data_paths_from_zip(zip_path: str | Path) -> list[str]:
+    """
+    Extract all files from a ZIP archive and return their paths.
+
+    Files are extracted into a temporary directory that persists for the
+    lifetime of the process.  The returned paths are sorted
+    lexicographically by file name so that numbered data files (e.g.
+    ``scan_001.dat``, ``scan_002.dat``) appear in natural order. Hidden
+    files and directories (names starting with ``'.'`` or ``'__'``) are
+    excluded.
+
+    Parameters
+    ----------
+    zip_path : str | Path
+        Path to the ZIP archive.
+
+    Returns
+    -------
+    list[str]
+        Sorted absolute paths to the extracted data files.
+
+    Raises
+    ------
+    FileNotFoundError
+        If *zip_path* does not exist.
+    ValueError
+        If the archive contains no usable data files.
+    """
+    zip_path = Path(zip_path)
+    if not zip_path.exists():
+        raise FileNotFoundError(f'ZIP file not found: {zip_path}')
+
+    # TODO: Unify mkdir with other uses in the code
+    extract_dir = Path(tempfile.mkdtemp(prefix='ed_zip_'))
+
+    with zipfile.ZipFile(zip_path, 'r') as zf:
+        zf.extractall(extract_dir)
+
+    paths = sorted(
+        str(p)
+        for p in extract_dir.rglob('*')
+        if p.is_file() and not p.name.startswith('.') and not p.name.startswith('__')
+    )
+
+    if not paths:
+        raise ValueError(f'No data files found in ZIP archive: {zip_path}')
+
+    return paths
+
+
+def extract_data_paths_from_dir(
+    dir_path: str | Path,
+    file_pattern: str = '*',
+) -> list[str]:
+    """
+    List data files in a directory and return their sorted paths.
+
+    Hidden files (names starting with ``'.'`` or ``'__'``) are excluded.
+    The returned paths are sorted lexicographically by file name.
+
+    Parameters
+    ----------
+    dir_path : str | Path
+        Path to the directory containing data files.
+    file_pattern : str, default='*'
+        Glob pattern to filter files (e.g. ``'*.dat'``, ``'*.xye'``).
+
+    Returns
+    -------
+    list[str]
+        Sorted absolute paths to the matching data files.
+
+    Raises
+    ------
+    FileNotFoundError
+        If *dir_path* does not exist or is not a directory.
+    ValueError
+        If no matching data files are found.
+    """
+    dir_path = Path(dir_path)
+    if not dir_path.is_dir():
+        raise FileNotFoundError(f'Directory not found: {dir_path}')
+
+    paths = sorted(
+        str(p)
+        for p in dir_path.glob(file_pattern)
+        if p.is_file() and not p.name.startswith('.') and not p.name.startswith('__')
+    )
+
+    if not paths:
+        raise ValueError(f"No files matching '{file_pattern}' found in directory: {dir_path}")
+
+    return paths
+
+
+def extract_metadata(
+    file_path: str | Path,
+    pattern: str,
+) -> float | None:
+    """
+    Extract a single numeric value from a file using a regex pattern.
+
+    The entire file content is searched (not just the header).  The
+    **first** match is used.  The regex must contain exactly one capture
+    group whose match is convertible to ``float``.
+
+    Parameters
+    ----------
+    file_path : str | Path
+        Path to the input file.
+    pattern : str
+        Regex with one capture group that matches the numeric value.
+
+    Returns
+    -------
+    float | None
+        The extracted value, or ``None`` if the pattern did not match or
+        the captured text could not be converted to float.
+    """
+    import re
+
+    content = Path(file_path).read_text(encoding='utf-8', errors='ignore')
+    match = re.search(pattern, content, re.MULTILINE)
+    if match is None:
+        return None
+    try:
+        return float(match.group(1))
+    except (ValueError, IndexError):
+        return None
+
+
+def load_numeric_block(data_path: str | Path) -> np.ndarray:
+    """
+    Load a numeric block from an ASCII file, skipping header lines.
+
+    Read the file and try ``numpy.loadtxt`` starting from the first
+    line, then the second, etc., until the load succeeds.  This allows
+    files with an arbitrary number of non-numeric header lines to be
+    parsed without prior knowledge of the format.
+
+    Parameters
+    ----------
+    data_path : str | Path
+        Path to the ASCII data file.
+
+    Returns
+    -------
+    np.ndarray
+        2-D array of the parsed numeric data.
+
+    Raises
+    ------
+    IOError
+        If no contiguous numeric block can be found in the file.
+    """
+    data_path = Path(data_path)
+    lines = data_path.read_text().splitlines()
+
+    last_error: Exception | None = None
+    for start in range(len(lines)):
+        try:
+            return np.loadtxt(StringIO('\n'.join(lines[start:])))
+        except Exception as e:  # noqa: BLE001
+            last_error = e
+
+    raise IOError(
+        f'Failed to read numeric data from {data_path}: {last_error}',
+    ) from last_error
diff --git a/src/easydiffraction/io/cif/__init__.py b/src/easydiffraction/io/cif/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/io/cif/__init__.py
+++ b/src/easydiffraction/io/cif/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/io/cif/handler.py b/src/easydiffraction/io/cif/handler.py
index 16ed4343..0cd3b62b 100644
--- a/src/easydiffraction/io/cif/handler.py
+++ b/src/easydiffraction/io/cif/handler.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Minimal CIF tag handler used by descriptors/parameters."""
 
@@ -6,7 +6,8 @@
 
 
 class CifHandler:
-    """Canonical CIF handler used by descriptors/parameters.
+    """
+    Canonical CIF handler used by descriptors/parameters.
 
     Holds CIF tags (names) and attaches to an owning descriptor so it
     can derive a stable uid if needed.
@@ -16,7 +17,7 @@ def __init__(self, *, names: list[str]) -> None:
         self._names = names
         self._owner = None  # set by attach
 
-    def attach(self, owner):
+    def attach(self, owner: object) -> None:
         """Attach to a descriptor or parameter instance."""
         self._owner = owner
 
diff --git a/src/easydiffraction/io/cif/parse.py b/src/easydiffraction/io/cif/parse.py
index ad0d736d..a320cf60 100644
--- a/src/easydiffraction/io/cif/parse.py
+++ b/src/easydiffraction/io/cif/parse.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import gemmi
diff --git a/src/easydiffraction/io/cif/serialize.py b/src/easydiffraction/io/cif/serialize.py
index 877f6ab1..f885aed7 100644
--- a/src/easydiffraction/io/cif/serialize.py
+++ b/src/easydiffraction/io/cif/serialize.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
@@ -19,15 +19,19 @@
 
     from easydiffraction.core.category import CategoryCollection
     from easydiffraction.core.category import CategoryItem
-    from easydiffraction.core.parameters import GenericDescriptorBase
+    from easydiffraction.core.variable import GenericDescriptorBase
 
 
-def format_value(value) -> str:
-    """Format a single CIF value, quoting strings with whitespace, and
-    format floats with global precision.
+def format_value(value: object) -> str:
     """
-    width = 8
-    precision = 4
+    Format a single CIF value for output.
+
+    .. note::     The precision must be high enough so that the
+    minimizer's     finite-difference Jacobian probes (typically ~1e-8
+    relative)     survive the float→string→float round-trip through CIF.
+    """
+    width = 12
+    precision = 8
 
     # Converting
 
@@ -56,8 +60,9 @@ def format_value(value) -> str:
 ##################
 
 
-def param_to_cif(param) -> str:
-    """Render a single descriptor/parameter to a CIF line.
+def param_to_cif(param: object) -> str:
+    """
+    Render a single descriptor/parameter to a CIF line.
 
     Expects ``param`` to expose ``_cif_handler.names`` and ``value``.
     """
@@ -66,8 +71,9 @@ def param_to_cif(param) -> str:
     return f'{main_key} {format_value(param.value)}'
 
 
-def category_item_to_cif(item) -> str:
-    """Render a CategoryItem-like object to CIF text.
+def category_item_to_cif(item: object) -> str:
+    """
+    Render a CategoryItem-like object to CIF text.
 
     Expects ``item.parameters`` iterable of params with
     ``_cif_handler.names`` and ``value``.
@@ -79,10 +85,11 @@ def category_item_to_cif(item) -> str:
 
 
 def category_collection_to_cif(
-    collection,
+    collection: object,
     max_display: Optional[int] = 20,
 ) -> str:
-    """Render a CategoryCollection-like object to CIF text.
+    """
+    Render a CategoryCollection-like object to CIF text.
 
     Uses first item to build loop header, then emits rows for each item.
     """
@@ -120,8 +127,9 @@ def category_collection_to_cif(
     return '\n'.join(lines)
 
 
-def datablock_item_to_cif(datablock) -> str:
-    """Render a DatablockItem-like object to CIF text.
+def datablock_item_to_cif(datablock: object) -> str:
+    """
+    Render a DatablockItem-like object to CIF text.
 
     Emits a data_ header and then concatenates category CIF sections.
     """
@@ -145,15 +153,13 @@ def datablock_item_to_cif(datablock) -> str:
     return '\n\n'.join(parts)
 
 
-def datablock_collection_to_cif(collection) -> str:
+def datablock_collection_to_cif(collection: object) -> str:
     """Render a collection of datablocks by joining their CIF blocks."""
     return '\n\n'.join([block.as_cif for block in collection.values()])
 
 
-def project_info_to_cif(info) -> str:
-    """Render ProjectInfo to CIF text (id, title, description,
-    dates).
-    """
+def project_info_to_cif(info: object) -> str:
+    """Render ProjectInfo to CIF text (id, title, description)."""
     name = f'{info.name}'
 
     title = f'{info.title}'
@@ -179,13 +185,13 @@ def project_info_to_cif(info) -> str:
     )
 
 
-def project_to_cif(project) -> str:
+def project_to_cif(project: object) -> str:
     """Render a whole project by concatenating sections when present."""
     parts: list[str] = []
     if hasattr(project, 'info'):
         parts.append(project.info.as_cif)
-    if getattr(project, 'sample_models', None):
-        parts.append(project.sample_models.as_cif)
+    if getattr(project, 'structures', None):
+        parts.append(project.structures.as_cif)
     if getattr(project, 'experiments', None):
         parts.append(project.experiments.as_cif)
     if getattr(project, 'analysis', None):
@@ -195,26 +201,29 @@ def project_to_cif(project) -> str:
     return '\n\n'.join([p for p in parts if p])
 
 
-def experiment_to_cif(experiment) -> str:
+def experiment_to_cif(experiment: object) -> str:
     """Render an experiment: datablock part plus measured data."""
     return datablock_item_to_cif(experiment)
 
 
-def analysis_to_cif(analysis) -> str:
+def analysis_to_cif(analysis: object) -> str:
     """Render analysis metadata, aliases, and constraints to CIF."""
     cur_min = format_value(analysis.current_minimizer)
     lines: list[str] = []
-    lines.append(f'_analysis.calculator_engine  {format_value(analysis.current_calculator)}')
     lines.append(f'_analysis.fitting_engine  {cur_min}')
-    lines.append(f'_analysis.fit_mode  {format_value(analysis.fit_mode)}')
+    lines.append(analysis.fit_mode.as_cif)
     lines.append('')
     lines.append(analysis.aliases.as_cif)
     lines.append('')
     lines.append(analysis.constraints.as_cif)
+    jfe_cif = analysis.joint_fit_experiments.as_cif
+    if jfe_cif:
+        lines.append('')
+        lines.append(jfe_cif)
     return '\n'.join(lines)
 
 
-def summary_to_cif(_summary) -> str:
+def summary_to_cif(_summary: object) -> str:
     """Render a summary CIF block (placeholder for now)."""
     return 'To be added...'
 
@@ -231,6 +240,18 @@ def param_from_cif(
     block: gemmi.cif.Block,
     idx: int = 0,
 ) -> None:
+    """
+    Populate a single descriptor from a CIF block.
+
+    Parameters
+    ----------
+    self : GenericDescriptorBase
+        The descriptor instance to populate.
+    block : gemmi.cif.Block
+        Parsed CIF block to read values from.
+    idx : int, default=0
+        Row index used when the tag belongs to a loop.
+    """
     found_values: list[Any] = []
 
     # Try to find the value(s) from the CIF block iterating over
@@ -282,6 +303,21 @@ def category_collection_from_cif(
     self: CategoryCollection,
     block: gemmi.cif.Block,
 ) -> None:
+    """
+    Populate a CategoryCollection from a CIF loop.
+
+    Parameters
+    ----------
+    self : CategoryCollection
+        The collection instance to populate.
+    block : gemmi.cif.Block
+        Parsed CIF block to read the loop from.
+
+    Raises
+    ------
+    ValueError
+        If the collection has no ``_item_type`` defined.
+    """
     # TODO: Find a better way and then remove TODO in the AtomSite
     #  class
     # TODO: Rename to _item_cls?
@@ -294,7 +330,7 @@ def category_collection_from_cif(
 
     # Iterate over category parameters and their possible CIF names
     # trying to find the whole loop it belongs to inside the CIF block
-    def _get_loop(block, category_item):
+    def _get_loop(block: object, category_item: object) -> object | None:
         for param in category_item.parameters:
             for name in param._cif_handler.names:
                 loop = block.find_loop(name).get_loop()
diff --git a/src/easydiffraction/project/__init__.py b/src/easydiffraction/project/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/project/__init__.py
+++ b/src/easydiffraction/project/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/project/project.py b/src/easydiffraction/project/project.py
index 980f680b..61b2cd5d 100644
--- a/src/easydiffraction/project/project.py
+++ b/src/easydiffraction/project/project.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Project facade to orchestrate models, experiments, and analysis."""
 
@@ -10,22 +10,23 @@
 
 from easydiffraction.analysis.analysis import Analysis
 from easydiffraction.core.guard import GuardedBase
+from easydiffraction.datablocks.experiment.collection import Experiments
+from easydiffraction.datablocks.structure.collection import Structures
 from easydiffraction.display.plotting import Plotter
 from easydiffraction.display.tables import TableRenderer
-from easydiffraction.experiments.experiments import Experiments
 from easydiffraction.io.cif.serialize import project_to_cif
 from easydiffraction.project.project_info import ProjectInfo
-from easydiffraction.sample_models.sample_models import SampleModels
 from easydiffraction.summary.summary import Summary
+from easydiffraction.utils.enums import VerbosityEnum
 from easydiffraction.utils.logging import console
 from easydiffraction.utils.logging import log
 
 
 class Project(GuardedBase):
-    """Central API for managing a diffraction data analysis project.
+    """
+    Central API for managing a diffraction data analysis project.
 
-    Provides access to sample models, experiments, analysis, and
-    summary.
+    Provides access to structures, experiments, analysis, and summary.
     """
 
     # ------------------------------------------------------------------
@@ -40,7 +41,7 @@ def __init__(
         super().__init__()
 
         self._info: ProjectInfo = ProjectInfo(name, title, description)
-        self._sample_models = SampleModels()
+        self._structures = Structures()
         self._experiments = Experiments()
         self._tabler = TableRenderer.get()
         self._plotter = Plotter()
@@ -48,6 +49,7 @@ def __init__(
         self._summary = Summary(self)
         self._saved = False
         self._varname = varname()
+        self._verbosity: VerbosityEnum = VerbosityEnum.FULL
 
     # ------------------------------------------------------------------
     # Dunder methods
@@ -56,11 +58,11 @@ def __str__(self) -> str:
         """Human-readable representation."""
         class_name = self.__class__.__name__
         project_name = self.name
-        sample_models_count = len(self.sample_models)
+        structures_count = len(self.structures)
         experiments_count = len(self.experiments)
         return (
             f"{class_name} '{project_name}' "
-            f'({sample_models_count} sample models, '
+            f'({structures_count} structures, '
             f'{experiments_count} experiments)'
         )
 
@@ -75,86 +77,113 @@ def info(self) -> ProjectInfo:
 
     @property
     def name(self) -> str:
-        """Convenience property to access the project's name
-        directly.
-        """
+        """Convenience property for the project name."""
         return self._info.name
 
     @property
     def full_name(self) -> str:
+        """
+        Return the full project name (alias for :attr:`name`).
+
+        Returns
+        -------
+        str
+            The project name.
+        """
         return self.name
 
     @property
-    def sample_models(self) -> SampleModels:
-        """Collection of sample models in the project."""
-        return self._sample_models
+    def structures(self) -> Structures:
+        """Collection of structures in the project."""
+        return self._structures
 
-    @sample_models.setter
+    @structures.setter
     @typechecked
-    def sample_models(self, sample_models: SampleModels) -> None:
-        self._sample_models = sample_models
+    def structures(self, structures: Structures) -> None:
+        self._structures = structures
 
     @property
-    def experiments(self):
+    def experiments(self) -> Experiments:
         """Collection of experiments in the project."""
         return self._experiments
 
     @experiments.setter
     @typechecked
-    def experiments(self, experiments: Experiments):
+    def experiments(self, experiments: Experiments) -> None:
         self._experiments = experiments
 
     @property
-    def plotter(self):
+    def plotter(self) -> Plotter:
         """Plotting facade bound to the project."""
         return self._plotter
 
     @property
-    def tabler(self):
+    def tabler(self) -> TableRenderer:
         """Tables rendering facade bound to the project."""
         return self._tabler
 
     @property
-    def analysis(self):
+    def analysis(self) -> Analysis:
         """Analysis entry-point bound to the project."""
         return self._analysis
 
     @property
-    def summary(self):
+    def summary(self) -> Summary:
         """Summary report builder bound to the project."""
         return self._summary
 
     @property
-    def parameters(self):
-        """Return parameters from all components (TBD)."""
-        # To be implemented: return all parameters in the project
-        return []
+    def parameters(self) -> list:
+        """Return parameters from all structures and experiments."""
+        return self.structures.parameters + self.experiments.parameters
 
     @property
-    def as_cif(self):
+    def as_cif(self) -> str:
         """Export whole project as CIF text."""
         # Concatenate sections using centralized CIF serializers
         return project_to_cif(self)
 
+    @property
+    def verbosity(self) -> str:
+        """
+        Project-wide console output verbosity.
+
+        Returns
+        -------
+        str
+            One of ``'full'``, ``'short'``, or ``'silent'``.
+        """
+        return self._verbosity.value
+
+    @verbosity.setter
+    def verbosity(self, value: str) -> None:
+        """
+        Set project-wide console output verbosity.
+
+        Parameters
+        ----------
+        value : str
+            ``'full'`` for multi-line output, ``'short'`` for one-line
+            status messages, or ``'silent'`` for no output.
+        """
+        self._verbosity = VerbosityEnum(value)
+
     # ------------------------------------------
     #  Project File I/O
     # ------------------------------------------
 
     def load(self, dir_path: str) -> None:
-        """Load a project from a given directory.
+        """
+        Load a project from a given directory.
 
-        Loads project info, sample models, experiments, etc.
+        Loads project info, structures, experiments, etc.
         """
-        console.paragraph('Loading project 📦 from')
-        console.print(dir_path)
-        self._info.path = dir_path
         # TODO: load project components from files inside dir_path
-        console.print('Loading project is not implemented yet.')
-        self._saved = True
+        raise NotImplementedError('Project.load() is not implemented yet.')
 
     def save(self) -> None:
         """Save the project into the existing project directory."""
-        if not self._info.path:
+        if self._info.path is None:
             log.error('Project path not specified. Use save_as() to define the path first.')
             return
 
@@ -169,26 +198,24 @@ def save(self) -> None:
             f.write(self._info.as_cif())
             console.print('├── 📄 project.cif')
 
-        # Save sample models
-        sm_dir = self._info.path / 'sample_models'
+        # Save structures
+        sm_dir = self._info.path / 'structures'
         sm_dir.mkdir(parents=True, exist_ok=True)
-        # Iterate over sample model objects (MutableMapping iter gives
-        # keys)
-        for model in self.sample_models.values():
-            file_name: str = f'{model.name}.cif'
+        console.print('├── 📁 structures/')
+        for structure in self.structures.values():
+            file_name: str = f'{structure.name}.cif'
             file_path = sm_dir / file_name
-            console.print('├── 📁 sample_models')
             with file_path.open('w') as f:
-                f.write(model.as_cif)
+                f.write(structure.as_cif)
                 console.print(f'│   └── 📄 {file_name}')
 
         # Save experiments
         expt_dir = self._info.path / 'experiments'
         expt_dir.mkdir(parents=True, exist_ok=True)
+        console.print('├── 📁 experiments/')
         for experiment in self.experiments.values():
             file_name: str = f'{experiment.name}.cif'
             file_path = expt_dir / file_name
-            console.print('├── 📁 experiments')
             with file_path.open('w') as f:
                 f.write(experiment.as_cif)
                 console.print(f'│   └── 📄 {file_name}')
@@ -222,20 +249,34 @@ def save_as(
     # Plotting
     # ------------------------------------------
 
-    def _update_categories(self, expt_name) -> None:
-        for sample_model in self.sample_models:
-            sample_model._update_categories()
+    def _update_categories(self, expt_name: str) -> None:
+        for structure in self.structures:
+            structure._update_categories()
         self.analysis._update_categories()
         experiment = self.experiments[expt_name]
         experiment._update_categories()
 
     def plot_meas(
         self,
-        expt_name,
-        x_min=None,
-        x_max=None,
-        d_spacing=False,
-    ):
+        expt_name: str,
+        x_min: float | None = None,
+        x_max: float | None = None,
+        x: object | None = None,
+    ) -> None:
+        """
+        Plot measured diffraction data for an experiment.
+
+        Parameters
+        ----------
+        expt_name : str
+            Name of the experiment to plot.
+        x_min : float | None, default=None
+            Lower bound for the x-axis range.
+        x_max : float | None, default=None
+            Upper bound for the x-axis range.
+        x : object | None, default=None
+            Optional explicit x-axis data to override stored values.
+        """
         self._update_categories(expt_name)
         experiment = self.experiments[expt_name]
 
@@ -245,16 +286,30 @@ def plot_meas(
             experiment.type,
             x_min=x_min,
             x_max=x_max,
-            d_spacing=d_spacing,
+            x=x,
         )
 
     def plot_calc(
         self,
-        expt_name,
-        x_min=None,
-        x_max=None,
-        d_spacing=False,
-    ):
+        expt_name: str,
+        x_min: float | None = None,
+        x_max: float | None = None,
+        x: object | None = None,
+    ) -> None:
+        """
+        Plot calculated diffraction pattern for an experiment.
+
+        Parameters
+        ----------
+        expt_name : str
+            Name of the experiment to plot.
+        x_min : float | None, default=None
+            Lower bound for the x-axis range.
+        x_max : float | None, default=None
+            Upper bound for the x-axis range.
+        x : object | None, default=None
+            Optional explicit x-axis data to override stored values.
+        """
         self._update_categories(expt_name)
         experiment = self.experiments[expt_name]
 
@@ -264,17 +319,33 @@ def plot_calc(
             experiment.type,
             x_min=x_min,
             x_max=x_max,
-            d_spacing=d_spacing,
+            x=x,
         )
 
     def plot_meas_vs_calc(
         self,
-        expt_name,
-        x_min=None,
-        x_max=None,
-        show_residual=False,
-        d_spacing=False,
-    ):
+        expt_name: str,
+        x_min: float | None = None,
+        x_max: float | None = None,
+        show_residual: bool = False,
+        x: object | None = None,
+    ) -> None:
+        """
+        Plot measured vs calculated data for an experiment.
+
+        Parameters
+        ----------
+        expt_name : str
+            Name of the experiment to plot.
+        x_min : float | None, default=None
+            Lower bound for the x-axis range.
+        x_max : float | None, default=None
+            Upper bound for the x-axis range.
+        show_residual : bool, default=False
+            When ``True``, include the residual (difference) curve.
+        x : object | None, default=None
+            Optional explicit x-axis data to override stored values.
+        """
         self._update_categories(expt_name)
         experiment = self.experiments[expt_name]
 
@@ -285,5 +356,29 @@ def plot_meas_vs_calc(
             x_min=x_min,
             x_max=x_max,
             show_residual=show_residual,
-            d_spacing=d_spacing,
+            x=x,
+        )
+
+    def plot_param_series(self, param: object, versus: object | None = None) -> None:
+        """
+        Plot a parameter's value across sequential fit results.
+
+        Parameters
+        ----------
+        param : object
+            Parameter descriptor whose ``unique_name`` identifies the
+            values to plot.
+        versus : object | None, default=None
+            A diffrn descriptor (e.g.
+            ``expt.diffrn.ambient_temperature``) whose value is used as
+            the x-axis for each experiment.  When ``None``, the
+            experiment sequence number is used instead.
+        """
+        unique_name = param.unique_name
+        versus_name = versus.name if versus is not None else None
+        self.plotter.plot_param_series(
+            unique_name,
+            versus_name,
+            self.experiments,
+            self.analysis._parameter_snapshots,
         )
diff --git a/src/easydiffraction/project/project_info.py b/src/easydiffraction/project/project_info.py
index 998ba200..dcba2fba 100644
--- a/src/easydiffraction/project/project_info.py
+++ b/src/easydiffraction/project/project_info.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 """Project metadata container used by Project."""
 
@@ -12,9 +12,7 @@
 
 
 class ProjectInfo(GuardedBase):
-    """Stores metadata about the project, such as name, title,
-    description, and file paths.
-    """
+    """Store project metadata: name, title, description, paths."""
 
     def __init__(
         self,
@@ -27,7 +25,7 @@ def __init__(
         self._name = name
         self._title = title
         self._description = description
-        self._path: pathlib.Path = pathlib.Path.cwd()
+        self._path: pathlib.Path | None = None  # pathlib.Path.cwd()
         self._created: datetime.datetime = datetime.datetime.now()
         self._last_modified: datetime.datetime = datetime.datetime.now()
 
@@ -38,6 +36,14 @@ def name(self) -> str:
 
     @name.setter
     def name(self, value: str) -> None:
+        """
+        Set the project name.
+
+        Parameters
+        ----------
+        value : str
+            New project name.
+        """
         self._name = value
 
     @property
@@ -52,6 +58,14 @@ def title(self) -> str:
 
     @title.setter
     def title(self, value: str) -> None:
+        """
+        Set the project title.
+
+        Parameters
+        ----------
+        value : str
+            New project title.
+        """
         self._title = value
 
     @property
@@ -61,15 +75,31 @@ def description(self) -> str:
 
     @description.setter
     def description(self, value: str) -> None:
+        """
+        Set the project description (whitespace normalized).
+
+        Parameters
+        ----------
+        value : str
+            New description text.
+        """
         self._description = ' '.join(value.split())
 
     @property
-    def path(self) -> pathlib.Path:
+    def path(self) -> pathlib.Path | None:
         """Return the project path as a Path object."""
         return self._path
 
     @path.setter
-    def path(self, value) -> None:
+    def path(self, value: object) -> None:
+        """
+        Set the project directory path.
+
+        Parameters
+        ----------
+        value : object
+            New path as a :class:`str` or :class:`pathlib.Path`.
+        """
         # Accept str or Path; normalize to Path
         self._path = pathlib.Path(value)
 
@@ -87,8 +117,8 @@ def update_last_modified(self) -> None:
         """Update the last modified timestamp."""
         self._last_modified = datetime.datetime.now()
 
-    def parameters(self):
-        """Placeholder for parameter listing."""
+    def parameters(self) -> None:
+        """List parameters (not implemented)."""
         pass
 
     # TODO: Consider moving to io.cif.serialize
diff --git a/src/easydiffraction/sample_models/__init__.py b/src/easydiffraction/sample_models/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/sample_models/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/sample_models/categories/__init__.py b/src/easydiffraction/sample_models/categories/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/sample_models/categories/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/sample_models/categories/atom_sites.py b/src/easydiffraction/sample_models/categories/atom_sites.py
deleted file mode 100644
index 955c62df..00000000
--- a/src/easydiffraction/sample_models/categories/atom_sites.py
+++ /dev/null
@@ -1,334 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Atom site category.
-
-Defines AtomSite items and AtomSites collection used in sample models.
-Only documentation was added; behavior remains unchanged.
-"""
-
-from cryspy.A_functions_base.database import DATABASE
-
-from easydiffraction.core.category import CategoryCollection
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import MembershipValidator
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.core.validation import RegexValidator
-from easydiffraction.crystallography import crystallography as ecr
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class AtomSite(CategoryItem):
-    """Single atom site with fractional coordinates and ADP.
-
-    Attributes are represented by descriptors to support validation and
-    CIF serialization.
-    """
-
-    def __init__(
-        self,
-        *,
-        label=None,
-        type_symbol=None,
-        fract_x=None,
-        fract_y=None,
-        fract_z=None,
-        wyckoff_letter=None,
-        occupancy=None,
-        b_iso=None,
-        adp_type=None,
-    ) -> None:
-        super().__init__()
-
-        self._label: StringDescriptor = StringDescriptor(
-            name='label',
-            description='Unique identifier for the atom site.',
-            value_spec=AttributeSpec(
-                value=label,
-                type_=DataTypes.STRING,
-                default='Si',
-                # TODO: the following pattern is valid for dict key
-                #  (keywords are not checked). CIF label is less strict.
-                #  Do we need conversion between CIF and internal label?
-                content_validator=RegexValidator(pattern=r'^[A-Za-z_][A-Za-z0-9_]*$'),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.label',
-                ]
-            ),
-        )
-        self._type_symbol: StringDescriptor = StringDescriptor(
-            name='type_symbol',
-            description='Chemical symbol of the atom at this site.',
-            value_spec=AttributeSpec(
-                value=type_symbol,
-                type_=DataTypes.STRING,
-                default='Tb',
-                content_validator=MembershipValidator(allowed=self._type_symbol_allowed_values),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.type_symbol',
-                ]
-            ),
-        )
-        self._fract_x: Parameter = Parameter(
-            name='fract_x',
-            description='Fractional x-coordinate of the atom site within the unit cell.',
-            value_spec=AttributeSpec(
-                value=fract_x,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.fract_x',
-                ]
-            ),
-        )
-        self._fract_y: Parameter = Parameter(
-            name='fract_y',
-            description='Fractional y-coordinate of the atom site within the unit cell.',
-            value_spec=AttributeSpec(
-                value=fract_y,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.fract_y',
-                ]
-            ),
-        )
-        self._fract_z: Parameter = Parameter(
-            name='fract_z',
-            description='Fractional z-coordinate of the atom site within the unit cell.',
-            value_spec=AttributeSpec(
-                value=fract_z,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.fract_z',
-                ]
-            ),
-        )
-        self._wyckoff_letter: StringDescriptor = StringDescriptor(
-            name='wyckoff_letter',
-            description='Wyckoff letter indicating the symmetry of the '
-            'atom site within the space group.',
-            value_spec=AttributeSpec(
-                value=wyckoff_letter,
-                type_=DataTypes.STRING,
-                default=self._wyckoff_letter_default_value,
-                content_validator=MembershipValidator(allowed=self._wyckoff_letter_allowed_values),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.Wyckoff_letter',
-                    '_atom_site.Wyckoff_symbol',
-                ]
-            ),
-        )
-        self._occupancy: Parameter = Parameter(
-            name='occupancy',
-            description='Occupancy of the atom site, representing the '
-            'fraction of the site occupied by the atom type.',
-            value_spec=AttributeSpec(
-                value=occupancy,
-                type_=DataTypes.NUMERIC,
-                default=1.0,
-                content_validator=RangeValidator(),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.occupancy',
-                ]
-            ),
-        )
-        self._b_iso: Parameter = Parameter(
-            name='b_iso',
-            description='Isotropic atomic displacement parameter (ADP) for the atom site.',
-            value_spec=AttributeSpec(
-                value=b_iso,
-                type_=DataTypes.NUMERIC,
-                default=0.0,
-                content_validator=RangeValidator(ge=0.0),
-            ),
-            units='Ų',
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.B_iso_or_equiv',
-                ]
-            ),
-        )
-        self._adp_type: StringDescriptor = StringDescriptor(
-            name='adp_type',
-            description='Type of atomic displacement parameter (ADP) '
-            'used (e.g., Biso, Uiso, Uani, Bani).',
-            value_spec=AttributeSpec(
-                value=adp_type,
-                type_=DataTypes.STRING,
-                default='Biso',
-                content_validator=MembershipValidator(allowed=['Biso']),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_atom_site.adp_type',
-                ]
-            ),
-        )
-
-        self._identity.category_code = 'atom_site'
-        self._identity.category_entry_name = lambda: str(self.label.value)
-
-    @property
-    def _type_symbol_allowed_values(self):
-        return list({key[1] for key in DATABASE['Isotopes']})
-
-    @property
-    def _wyckoff_letter_allowed_values(self):
-        # TODO: Need to now current space group. How to access it? Via
-        #  parent Cell? Then letters =
-        #  list(SPACE_GROUPS[62, 'cab']['Wyckoff_positions'].keys())
-        #  Temporarily return hardcoded list:
-        return ['a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i']
-
-    @property
-    def _wyckoff_letter_default_value(self):
-        # TODO: What to pass as default?
-        return self._wyckoff_letter_allowed_values[0]
-
-    @property
-    def label(self):
-        """Label descriptor for the site (unique key)."""
-        return self._label
-
-    @label.setter
-    def label(self, value):
-        self._label.value = value
-
-    @property
-    def type_symbol(self):
-        """Chemical symbol descriptor (e.g. 'Si')."""
-        return self._type_symbol
-
-    @type_symbol.setter
-    def type_symbol(self, value):
-        self._type_symbol.value = value
-
-    @property
-    def adp_type(self):
-        """ADP type descriptor (e.g. 'Biso')."""
-        return self._adp_type
-
-    @adp_type.setter
-    def adp_type(self, value):
-        self._adp_type.value = value
-
-    @property
-    def wyckoff_letter(self):
-        """Wyckoff letter descriptor (space-group position)."""
-        return self._wyckoff_letter
-
-    @wyckoff_letter.setter
-    def wyckoff_letter(self, value):
-        self._wyckoff_letter.value = value
-
-    @property
-    def fract_x(self):
-        """Fractional x coordinate descriptor."""
-        return self._fract_x
-
-    @fract_x.setter
-    def fract_x(self, value):
-        self._fract_x.value = value
-
-    @property
-    def fract_y(self):
-        """Fractional y coordinate descriptor."""
-        return self._fract_y
-
-    @fract_y.setter
-    def fract_y(self, value):
-        self._fract_y.value = value
-
-    @property
-    def fract_z(self):
-        """Fractional z coordinate descriptor."""
-        return self._fract_z
-
-    @fract_z.setter
-    def fract_z(self, value):
-        self._fract_z.value = value
-
-    @property
-    def occupancy(self):
-        """Occupancy descriptor (0..1)."""
-        return self._occupancy
-
-    @occupancy.setter
-    def occupancy(self, value):
-        self._occupancy.value = value
-
-    @property
-    def b_iso(self):
-        """Isotropic ADP descriptor in Ų."""
-        return self._b_iso
-
-    @b_iso.setter
-    def b_iso(self, value):
-        self._b_iso.value = value
-
-
-class AtomSites(CategoryCollection):
-    """Collection of AtomSite instances."""
-
-    def __init__(self):
-        super().__init__(item_type=AtomSite)
-
-    def _apply_atomic_coordinates_symmetry_constraints(self):
-        """Apply symmetry rules to fractional coordinates of atom
-        sites.
-        """
-        sample_model = self._parent
-        space_group_name = sample_model.space_group.name_h_m.value
-        space_group_coord_code = sample_model.space_group.it_coordinate_system_code.value
-        for atom in self._items:
-            dummy_atom = {
-                'fract_x': atom.fract_x.value,
-                'fract_y': atom.fract_y.value,
-                'fract_z': atom.fract_z.value,
-            }
-            wl = atom.wyckoff_letter.value
-            if not wl:
-                # TODO: Decide how to handle this case
-                #  For now, we just skip applying constraints if wyckoff
-                #  letter is not set. Alternatively, could raise an
-                #  error or warning
-                #  print(f"Warning: Wyckoff letter is not ...")
-                #  raise ValueError("Wyckoff letter is not ...")
-                continue
-            ecr.apply_atom_site_symmetry_constraints(
-                atom_site=dummy_atom,
-                name_hm=space_group_name,
-                coord_code=space_group_coord_code,
-                wyckoff_letter=wl,
-            )
-            atom.fract_x.value = dummy_atom['fract_x']
-            atom.fract_y.value = dummy_atom['fract_y']
-            atom.fract_z.value = dummy_atom['fract_z']
-
-    def _update(self, called_by_minimizer=False):
-        """Update atom sites by applying symmetry constraints."""
-        del called_by_minimizer
-
-        self._apply_atomic_coordinates_symmetry_constraints()
diff --git a/src/easydiffraction/sample_models/categories/cell.py b/src/easydiffraction/sample_models/categories/cell.py
deleted file mode 100644
index 80c0b144..00000000
--- a/src/easydiffraction/sample_models/categories/cell.py
+++ /dev/null
@@ -1,188 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Unit cell parameters category for sample models."""
-
-from typing import Optional
-
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import Parameter
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import RangeValidator
-from easydiffraction.crystallography import crystallography as ecr
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class Cell(CategoryItem):
-    """Unit cell with lengths a, b, c and angles alpha, beta, gamma."""
-
-    def __init__(
-        self,
-        *,
-        length_a: Optional[int | float] = None,
-        length_b: Optional[int | float] = None,
-        length_c: Optional[int | float] = None,
-        angle_alpha: Optional[int | float] = None,
-        angle_beta: Optional[int | float] = None,
-        angle_gamma: Optional[int | float] = None,
-    ) -> None:
-        super().__init__()
-
-        self._length_a: Parameter = Parameter(
-            name='length_a',
-            description='Length of the a axis of the unit cell.',
-            value_spec=AttributeSpec(
-                value=length_a,
-                type_=DataTypes.NUMERIC,
-                default=10.0,
-                content_validator=RangeValidator(ge=0, le=1000),
-            ),
-            units='Å',
-            cif_handler=CifHandler(names=['_cell.length_a']),
-        )
-        self._length_b: Parameter = Parameter(
-            name='length_b',
-            description='Length of the b axis of the unit cell.',
-            value_spec=AttributeSpec(
-                value=length_b,
-                type_=DataTypes.NUMERIC,
-                default=10.0,
-                content_validator=RangeValidator(ge=0, le=1000),
-            ),
-            units='Å',
-            cif_handler=CifHandler(names=['_cell.length_b']),
-        )
-        self._length_c: Parameter = Parameter(
-            name='length_c',
-            description='Length of the c axis of the unit cell.',
-            value_spec=AttributeSpec(
-                value=length_c,
-                type_=DataTypes.NUMERIC,
-                default=10.0,
-                content_validator=RangeValidator(ge=0, le=1000),
-            ),
-            units='Å',
-            cif_handler=CifHandler(names=['_cell.length_c']),
-        )
-        self._angle_alpha: Parameter = Parameter(
-            name='angle_alpha',
-            description='Angle between edges b and c.',
-            value_spec=AttributeSpec(
-                value=angle_alpha,
-                type_=DataTypes.NUMERIC,
-                default=90.0,
-                content_validator=RangeValidator(ge=0, le=180),
-            ),
-            units='deg',
-            cif_handler=CifHandler(names=['_cell.angle_alpha']),
-        )
-        self._angle_beta: Parameter = Parameter(
-            name='angle_beta',
-            description='Angle between edges a and c.',
-            value_spec=AttributeSpec(
-                value=angle_beta,
-                type_=DataTypes.NUMERIC,
-                default=90.0,
-                content_validator=RangeValidator(ge=0, le=180),
-            ),
-            units='deg',
-            cif_handler=CifHandler(names=['_cell.angle_beta']),
-        )
-        self._angle_gamma: Parameter = Parameter(
-            name='angle_gamma',
-            description='Angle between edges a and b.',
-            value_spec=AttributeSpec(
-                value=angle_gamma,
-                type_=DataTypes.NUMERIC,
-                default=90.0,
-                content_validator=RangeValidator(ge=0, le=180),
-            ),
-            units='deg',
-            cif_handler=CifHandler(names=['_cell.angle_gamma']),
-        )
-
-        self._identity.category_code = 'cell'
-
-    @property
-    def length_a(self):
-        """Descriptor for a-axis length in Å."""
-        return self._length_a
-
-    @length_a.setter
-    def length_a(self, value):
-        self._length_a.value = value
-
-    @property
-    def length_b(self):
-        """Descriptor for b-axis length in Å."""
-        return self._length_b
-
-    @length_b.setter
-    def length_b(self, value):
-        self._length_b.value = value
-
-    @property
-    def length_c(self):
-        """Descriptor for c-axis length in Å."""
-        return self._length_c
-
-    @length_c.setter
-    def length_c(self, value):
-        self._length_c.value = value
-
-    @property
-    def angle_alpha(self):
-        """Descriptor for angle alpha in degrees."""
-        return self._angle_alpha
-
-    @angle_alpha.setter
-    def angle_alpha(self, value):
-        self._angle_alpha.value = value
-
-    @property
-    def angle_beta(self):
-        """Descriptor for angle beta in degrees."""
-        return self._angle_beta
-
-    @angle_beta.setter
-    def angle_beta(self, value):
-        self._angle_beta.value = value
-
-    @property
-    def angle_gamma(self):
-        """Descriptor for angle gamma in degrees."""
-        return self._angle_gamma
-
-    @angle_gamma.setter
-    def angle_gamma(self, value):
-        self._angle_gamma.value = value
-
-    def _apply_cell_symmetry_constraints(self):
-        """Apply symmetry constraints to cell parameters."""
-        dummy_cell = {
-            'lattice_a': self.length_a.value,
-            'lattice_b': self.length_b.value,
-            'lattice_c': self.length_c.value,
-            'angle_alpha': self.angle_alpha.value,
-            'angle_beta': self.angle_beta.value,
-            'angle_gamma': self.angle_gamma.value,
-        }
-        space_group_name = self._parent.space_group.name_h_m.value
-
-        ecr.apply_cell_symmetry_constraints(
-            cell=dummy_cell,
-            name_hm=space_group_name,
-        )
-
-        self.length_a.value = dummy_cell['lattice_a']
-        self.length_b.value = dummy_cell['lattice_b']
-        self.length_c.value = dummy_cell['lattice_c']
-        self.angle_alpha.value = dummy_cell['angle_alpha']
-        self.angle_beta.value = dummy_cell['angle_beta']
-        self.angle_gamma.value = dummy_cell['angle_gamma']
-
-    def _update(self, called_by_minimizer=False):
-        """Update cell parameters by applying symmetry constraints."""
-        del called_by_minimizer
-
-        self._apply_cell_symmetry_constraints()
diff --git a/src/easydiffraction/sample_models/categories/space_group.py b/src/easydiffraction/sample_models/categories/space_group.py
deleted file mode 100644
index 3e726b17..00000000
--- a/src/easydiffraction/sample_models/categories/space_group.py
+++ /dev/null
@@ -1,107 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Space group category for crystallographic sample models."""
-
-from cryspy.A_functions_base.function_2_space_group import ACCESIBLE_NAME_HM_SHORT
-from cryspy.A_functions_base.function_2_space_group import (
-    get_it_coordinate_system_codes_by_it_number,
-)
-from cryspy.A_functions_base.function_2_space_group import get_it_number_by_name_hm_short
-
-from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import StringDescriptor
-from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
-from easydiffraction.core.validation import MembershipValidator
-from easydiffraction.io.cif.handler import CifHandler
-
-
-class SpaceGroup(CategoryItem):
-    """Space group with Hermann–Mauguin symbol and IT code."""
-
-    def __init__(
-        self,
-        *,
-        name_h_m: str = None,
-        it_coordinate_system_code: str = None,
-    ) -> None:
-        super().__init__()
-        self._name_h_m: StringDescriptor = StringDescriptor(
-            name='name_h_m',
-            description='Hermann-Mauguin symbol of the space group.',
-            value_spec=AttributeSpec(
-                value=name_h_m,
-                type_=DataTypes.STRING,
-                default='P 1',
-                content_validator=MembershipValidator(
-                    allowed=lambda: self._name_h_m_allowed_values
-                ),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_space_group.name_H-M_alt',
-                    '_space_group_name_H-M_alt',
-                    '_symmetry.space_group_name_H-M',
-                    '_symmetry_space_group_name_H-M',
-                ]
-            ),
-        )
-        self._it_coordinate_system_code: StringDescriptor = StringDescriptor(
-            name='it_coordinate_system_code',
-            description='A qualifier identifying which setting in IT is used.',
-            value_spec=AttributeSpec(
-                value=it_coordinate_system_code,
-                type_=DataTypes.STRING,
-                default=lambda: self._it_coordinate_system_code_default_value,
-                content_validator=MembershipValidator(
-                    allowed=lambda: self._it_coordinate_system_code_allowed_values
-                ),
-            ),
-            cif_handler=CifHandler(
-                names=[
-                    '_space_group.IT_coordinate_system_code',
-                    '_space_group_IT_coordinate_system_code',
-                    '_symmetry.IT_coordinate_system_code',
-                    '_symmetry_IT_coordinate_system_code',
-                ]
-            ),
-        )
-        self._identity.category_code = 'space_group'
-
-    def _reset_it_coordinate_system_code(self):
-        self._it_coordinate_system_code.value = self._it_coordinate_system_code_default_value
-
-    @property
-    def _name_h_m_allowed_values(self):
-        return ACCESIBLE_NAME_HM_SHORT
-
-    @property
-    def _it_coordinate_system_code_allowed_values(self):
-        name = self.name_h_m.value
-        it_number = get_it_number_by_name_hm_short(name)
-        codes = get_it_coordinate_system_codes_by_it_number(it_number)
-        codes = [str(code) for code in codes]
-        return codes if codes else ['']
-
-    @property
-    def _it_coordinate_system_code_default_value(self):
-        return self._it_coordinate_system_code_allowed_values[0]
-
-    @property
-    def name_h_m(self):
-        """Descriptor for Hermann–Mauguin symbol."""
-        return self._name_h_m
-
-    @name_h_m.setter
-    def name_h_m(self, value):
-        self._name_h_m.value = value
-        self._reset_it_coordinate_system_code()
-
-    @property
-    def it_coordinate_system_code(self):
-        """Descriptor for IT coordinate system code."""
-        return self._it_coordinate_system_code
-
-    @it_coordinate_system_code.setter
-    def it_coordinate_system_code(self, value):
-        self._it_coordinate_system_code.value = value
diff --git a/src/easydiffraction/sample_models/sample_model/__init__.py b/src/easydiffraction/sample_models/sample_model/__init__.py
deleted file mode 100644
index 429f2648..00000000
--- a/src/easydiffraction/sample_models/sample_model/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/sample_models/sample_model/base.py b/src/easydiffraction/sample_models/sample_model/base.py
deleted file mode 100644
index 7ae135de..00000000
--- a/src/easydiffraction/sample_models/sample_model/base.py
+++ /dev/null
@@ -1,183 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from easydiffraction.core.datablock import DatablockItem
-from easydiffraction.crystallography import crystallography as ecr
-from easydiffraction.sample_models.categories.atom_sites import AtomSites
-from easydiffraction.sample_models.categories.cell import Cell
-from easydiffraction.sample_models.categories.space_group import SpaceGroup
-from easydiffraction.utils.logging import console
-from easydiffraction.utils.utils import render_cif
-
-
-class SampleModelBase(DatablockItem):
-    """Base sample model and container for structural information.
-
-    Holds space group, unit cell and atom-site categories. The
-    factory is responsible for creating rich instances from CIF;
-    this base accepts just the ``name`` and exposes helpers for
-    applying symmetry.
-    """
-
-    def __init__(
-        self,
-        *,
-        name,
-    ) -> None:
-        super().__init__()
-        self._name = name
-        self._cell: Cell = Cell()
-        self._space_group: SpaceGroup = SpaceGroup()
-        self._atom_sites: AtomSites = AtomSites()
-        self._identity.datablock_entry_name = lambda: self.name
-
-    def __str__(self) -> str:
-        """Human-readable representation of this component."""
-        name = self._log_name
-        items = ', '.join(
-            f'{k}={v}'
-            for k, v in {
-                'cell': self.cell,
-                'space_group': self.space_group,
-                'atom_sites': self.atom_sites,
-            }.items()
-        )
-        return f'<{name} ({items})>'
-
-    @property
-    def name(self) -> str:
-        """Model name.
-
-        Returns:
-            The user-facing identifier for this model.
-        """
-        return self._name
-
-    @name.setter
-    def name(self, new: str) -> None:
-        """Update model name."""
-        self._name = new
-
-    @property
-    def cell(self) -> Cell:
-        """Unit-cell category object."""
-        return self._cell
-
-    @cell.setter
-    def cell(self, new: Cell) -> None:
-        """Replace the unit-cell category object."""
-        self._cell = new
-
-    @property
-    def space_group(self) -> SpaceGroup:
-        """Space-group category object."""
-        return self._space_group
-
-    @space_group.setter
-    def space_group(self, new: SpaceGroup) -> None:
-        """Replace the space-group category object."""
-        self._space_group = new
-
-    @property
-    def atom_sites(self) -> AtomSites:
-        """Atom-sites collection for this model."""
-        return self._atom_sites
-
-    @atom_sites.setter
-    def atom_sites(self, new: AtomSites) -> None:
-        """Replace the atom-sites collection."""
-        self._atom_sites = new
-
-    # --------------------
-    # Symmetry constraints
-    # --------------------
-
-    def _apply_cell_symmetry_constraints(self):
-        """Apply symmetry rules to unit-cell parameters in place."""
-        dummy_cell = {
-            'lattice_a': self.cell.length_a.value,
-            'lattice_b': self.cell.length_b.value,
-            'lattice_c': self.cell.length_c.value,
-            'angle_alpha': self.cell.angle_alpha.value,
-            'angle_beta': self.cell.angle_beta.value,
-            'angle_gamma': self.cell.angle_gamma.value,
-        }
-        space_group_name = self.space_group.name_h_m.value
-        ecr.apply_cell_symmetry_constraints(cell=dummy_cell, name_hm=space_group_name)
-        self.cell.length_a.value = dummy_cell['lattice_a']
-        self.cell.length_b.value = dummy_cell['lattice_b']
-        self.cell.length_c.value = dummy_cell['lattice_c']
-        self.cell.angle_alpha.value = dummy_cell['angle_alpha']
-        self.cell.angle_beta.value = dummy_cell['angle_beta']
-        self.cell.angle_gamma.value = dummy_cell['angle_gamma']
-
-    def _apply_atomic_coordinates_symmetry_constraints(self):
-        """Apply symmetry rules to fractional coordinates of atom
-        sites.
-        """
-        space_group_name = self.space_group.name_h_m.value
-        space_group_coord_code = self.space_group.it_coordinate_system_code.value
-        for atom in self.atom_sites:
-            dummy_atom = {
-                'fract_x': atom.fract_x.value,
-                'fract_y': atom.fract_y.value,
-                'fract_z': atom.fract_z.value,
-            }
-            wl = atom.wyckoff_letter.value
-            if not wl:
-                # TODO: Decide how to handle this case
-                #  For now, we just skip applying constraints if wyckoff
-                #  letter is not set. Alternatively, could raise an
-                #  error or warning
-                #  print(f"Warning: Wyckoff letter is not ...")
-                #  raise ValueError("Wyckoff letter is not ...")
-                continue
-            ecr.apply_atom_site_symmetry_constraints(
-                atom_site=dummy_atom,
-                name_hm=space_group_name,
-                coord_code=space_group_coord_code,
-                wyckoff_letter=wl,
-            )
-            atom.fract_x.value = dummy_atom['fract_x']
-            atom.fract_y.value = dummy_atom['fract_y']
-            atom.fract_z.value = dummy_atom['fract_z']
-
-    def _apply_atomic_displacement_symmetry_constraints(self):
-        """Placeholder for ADP symmetry constraints (not
-        implemented).
-        """
-        pass
-
-    def _apply_symmetry_constraints(self):
-        """Apply all available symmetry constraints to this model."""
-        self._apply_cell_symmetry_constraints()
-        self._apply_atomic_coordinates_symmetry_constraints()
-        self._apply_atomic_displacement_symmetry_constraints()
-
-    # ------------
-    # Show methods
-    # ------------
-
-    def show_structure(self):
-        """Show an ASCII projection of the structure on a 2D plane."""
-        console.paragraph(f"Sample model 🧩 '{self.name}' structure view")
-        console.print('Not implemented yet.')
-
-    def show_params(self):
-        """Display structural parameters (space group, cell, atom
-        sites).
-        """
-        console.print(f'\nSampleModel ID: {self.name}')
-        console.print(f'Space group: {self.space_group.name_h_m}')
-        console.print(f'Cell parameters: {self.cell.as_dict}')
-        console.print('Atom sites:')
-        self.atom_sites.show()
-
-    def show_as_cif(self) -> None:
-        """Render the CIF text for this model in a terminal-friendly
-        view.
-        """
-        cif_text: str = self.as_cif
-        paragraph_title: str = f"Sample model 🧩 '{self.name}' as cif"
-        console.paragraph(paragraph_title)
-        render_cif(cif_text)
diff --git a/src/easydiffraction/sample_models/sample_model/factory.py b/src/easydiffraction/sample_models/sample_model/factory.py
deleted file mode 100644
index 7a03b0f0..00000000
--- a/src/easydiffraction/sample_models/sample_model/factory.py
+++ /dev/null
@@ -1,103 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-"""Factory for creating sample models from simple inputs or CIF.
-
-Supports three argument combinations: ``name``, ``cif_path``, or
-``cif_str``. Returns a minimal ``SampleModelBase`` populated from CIF
-when provided, or an empty model with the given name.
-"""
-
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
-from easydiffraction.core.factory import FactoryBase
-from easydiffraction.io.cif.parse import document_from_path
-from easydiffraction.io.cif.parse import document_from_string
-from easydiffraction.io.cif.parse import name_from_block
-from easydiffraction.io.cif.parse import pick_sole_block
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
-
-if TYPE_CHECKING:
-    import gemmi
-
-
-class SampleModelFactory(FactoryBase):
-    """Create ``SampleModelBase`` instances from supported inputs."""
-
-    _ALLOWED_ARG_SPECS = [
-        {'required': ['name'], 'optional': []},
-        {'required': ['cif_path'], 'optional': []},
-        {'required': ['cif_str'], 'optional': []},
-    ]
-
-    @classmethod
-    def _create_from_gemmi_block(
-        cls,
-        block: gemmi.cif.Block,
-    ) -> SampleModelBase:
-        """Build a model instance from a single CIF block."""
-        name = name_from_block(block)
-        sample_model = SampleModelBase(name=name)
-        for category in sample_model.categories:
-            category.from_cif(block)
-        return sample_model
-
-    @classmethod
-    def _create_from_cif_path(
-        cls,
-        cif_path: str,
-    ) -> SampleModelBase:
-        """Create a model by reading and parsing a CIF file."""
-        doc = document_from_path(cif_path)
-        block = pick_sole_block(doc)
-        return cls._create_from_gemmi_block(block)
-
-    @classmethod
-    def _create_from_cif_str(
-        cls,
-        cif_str: str,
-    ) -> SampleModelBase:
-        """Create a model by parsing a CIF string."""
-        doc = document_from_string(cif_str)
-        block = pick_sole_block(doc)
-        return cls._create_from_gemmi_block(block)
-
-    @classmethod
-    def _create_minimal(
-        cls,
-        name: str,
-    ) -> SampleModelBase:
-        """Create a minimal default model with just a name."""
-        return SampleModelBase(name=name)
-
-    @classmethod
-    def create(cls, **kwargs):
-        """Create a model based on a validated argument combination.
-
-        Keyword Args:
-            name: Name of the sample model to create.
-            cif_path: Path to a CIF file to parse.
-            cif_str: Raw CIF string to parse.
-            **kwargs: Extra args are ignored if None; only the above
-                three keys are supported.
-
-        Returns:
-            SampleModelBase: A populated or empty model instance.
-        """
-        # TODO: move to FactoryBase
-        # Check for valid argument combinations
-        user_args = {k for k, v in kwargs.items() if v is not None}
-        cls._validate_args(
-            present=user_args,
-            allowed_specs=cls._ALLOWED_ARG_SPECS,
-            factory_name=cls.__name__,  # TODO: move to FactoryBase
-        )
-
-        # Dispatch to the appropriate creation method
-        if 'cif_path' in kwargs:
-            return cls._create_from_cif_path(kwargs['cif_path'])
-        elif 'cif_str' in kwargs:
-            return cls._create_from_cif_str(kwargs['cif_str'])
-        elif 'name' in kwargs:
-            return cls._create_minimal(kwargs['name'])
diff --git a/src/easydiffraction/sample_models/sample_models.py b/src/easydiffraction/sample_models/sample_models.py
deleted file mode 100644
index bb85d2e9..00000000
--- a/src/easydiffraction/sample_models/sample_models.py
+++ /dev/null
@@ -1,87 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from typeguard import typechecked
-
-from easydiffraction.core.datablock import DatablockCollection
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
-from easydiffraction.sample_models.sample_model.factory import SampleModelFactory
-from easydiffraction.utils.logging import console
-
-
-class SampleModels(DatablockCollection):
-    """Collection manager for multiple SampleModel instances."""
-
-    def __init__(self) -> None:
-        super().__init__(item_type=SampleModelBase)
-
-    # --------------------
-    # Add / Remove methods
-    # --------------------
-
-    # TODO: Move to DatablockCollection?
-    # TODO: Disallow args and only allow kwargs?
-    def add(self, **kwargs):
-        sample_model = kwargs.pop('sample_model', None)
-
-        if sample_model is None:
-            sample_model = SampleModelFactory.create(**kwargs)
-
-        self._add(sample_model)
-
-    # @typechecked
-    # def add_from_cif_path(self, cif_path: str) -> None:
-    #    """Create and add a model from a CIF file path.#
-    #
-    #    Args:
-    #        cif_path: Path to a CIF file.
-    #    """
-    #    sample_model = SampleModelFactory.create(cif_path=cif_path)
-    #    self.add(sample_model)
-
-    # @typechecked
-    # def add_from_cif_str(self, cif_str: str) -> None:
-    #    """Create and add a model from CIF content (string).
-    #
-    #    Args:
-    #        cif_str: CIF file content.
-    #    """
-    #    sample_model = SampleModelFactory.create(cif_str=cif_str)
-    #    self.add(sample_model)
-
-    # @typechecked
-    # def add_minimal(self, name: str) -> None:
-    #    """Create and add a minimal model (defaults, no atoms).
-    #
-    #    Args:
-    #        name: Identifier to assign to the new model.
-    #    """
-    #    sample_model = SampleModelFactory.create(name=name)
-    #    self.add(sample_model)
-
-    # TODO: Move to DatablockCollection?
-    @typechecked
-    def remove(self, name: str) -> None:
-        """Remove a sample model by its ID.
-
-        Args:
-            name: ID of the model to remove.
-        """
-        if name in self:
-            del self[name]
-
-    # ------------
-    # Show methods
-    # ------------
-
-    # TODO: Move to DatablockCollection?
-    def show_names(self) -> None:
-        """List all model names in the collection."""
-        console.paragraph('Defined sample models' + ' 🧩')
-        console.print(self.names)
-
-    # TODO: Move to DatablockCollection?
-    def show_params(self) -> None:
-        """Show parameters of all sample models in the collection."""
-        for model in self.values():
-            model.show_params()
diff --git a/src/easydiffraction/summary/__init__.py b/src/easydiffraction/summary/__init__.py
index 429f2648..4e798e20 100644
--- a/src/easydiffraction/summary/__init__.py
+++ b/src/easydiffraction/summary/__init__.py
@@ -1,2 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
diff --git a/src/easydiffraction/summary/summary.py b/src/easydiffraction/summary/summary.py
index 7d28c875..9d715bac 100644
--- a/src/easydiffraction/summary/summary.py
+++ b/src/easydiffraction/summary/summary.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from textwrap import wrap
@@ -9,17 +9,21 @@
 
 
 class Summary:
-    """Generates reports and exports results from the project.
+    """
+    Generates reports and exports results from the project.
 
     This class collects and presents all relevant information about the
     fitted model, experiments, and analysis results.
     """
 
-    def __init__(self, project) -> None:
-        """Initialize the summary with a reference to the project.
+    def __init__(self, project: object) -> None:
+        """
+        Initialize the summary with a reference to the project.
 
-        Args:
-            project: The Project instance this summary belongs to.
+        Parameters
+        ----------
+        project : object
+            The Project instance this summary belongs to.
         """
         self.project = project
 
@@ -28,6 +32,7 @@ def __init__(self, project) -> None:
     # ------------------------------------------
 
     def show_report(self) -> None:
+        """Print a full project report covering all sections."""
         self.show_project_info()
         self.show_crystallographic_data()
         self.show_experimental_data()
@@ -52,12 +57,10 @@ def show_project_info(self) -> None:
             print('\n'.join(desc_lines))
 
     def show_crystallographic_data(self) -> None:
-        """Print crystallographic data including phase datablocks, space
-        groups, cell parameters, and atom sites.
-        """
+        """Print crystallographic data for all phases."""
         console.section('Crystallographic data')
 
-        for model in self.project.sample_models.values():
+        for model in self.project.structures.values():
             console.paragraph('Phase datablock')
             console.print(f'🧩 {model.name}')
 
@@ -114,9 +117,7 @@ def show_crystallographic_data(self) -> None:
             )
 
     def show_experimental_data(self) -> None:
-        """Print experimental data including experiment datablocks,
-        types, instrument settings, and peak profile information.
-        """
+        """Print experimental data for all experiments."""
         console.section('Experiments')
 
         for expt in self.project.experiments.values():
@@ -174,13 +175,12 @@ def show_experimental_data(self) -> None:
                     )
 
     def show_fitting_details(self) -> None:
-        """Print fitting details including calculation and minimization
-        engines, and fit quality metrics.
-        """
+        """Print fitting details including engines and metrics."""
         console.section('Fitting')
 
         console.paragraph('Calculation engine')
-        console.print(self.project.analysis.current_calculator)
+        for expt in self.project.experiments.values():
+            console.print(f'  {expt.name}: {expt.calculator_type}')
 
         console.paragraph('Minimization engine')
         console.print(self.project.analysis.current_minimizer)
@@ -205,9 +205,7 @@ def show_fitting_details(self) -> None:
     # ------------------------------------------
 
     def as_cif(self) -> str:
-        """Export the final fitted data and analysis results as CIF
-        format.
-        """
+        """Export fitted data and analysis results as CIF."""
         from easydiffraction.io.cif.serialize import summary_to_cif
 
         return summary_to_cif(self)
diff --git a/src/easydiffraction/utils/__init__.py b/src/easydiffraction/utils/__init__.py
index e40e0816..53fde2c6 100644
--- a/src/easydiffraction/utils/__init__.py
+++ b/src/easydiffraction/utils/__init__.py
@@ -1,10 +1,5 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from easydiffraction.utils.utils import _is_dev_version
 from easydiffraction.utils.utils import stripped_package_version
-
-__all__ = [
-    '_is_dev_version',
-    'stripped_package_version',
-]
diff --git a/src/easydiffraction/utils/_vendored/__init__.py b/src/easydiffraction/utils/_vendored/__init__.py
index 20506363..c124e1af 100644
--- a/src/easydiffraction/utils/_vendored/__init__.py
+++ b/src/easydiffraction/utils/_vendored/__init__.py
@@ -1,23 +1,22 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Vendored third-party modules.
+"""
+Vendored third-party modules.
 
 This package contains third-party code that has been vendored into the
 project to avoid external dependencies not available on conda-forge.
 
-Packages:
-    jupyter_dark_detect/
-        Vendored copy of jupyter_dark_detect (MIT License).
-        Check jupyter_dark_detect.__version__ for vendored version.
+Packages:     jupyter_dark_detect/         Vendored copy of
+jupyter_dark_detect (MIT License).         Check
+jupyter_dark_detect.__version__ for vendored version.
 
-        To update, replace these files from upstream:
-        - https://github.com/OpenMined/jupyter-dark-detect/blob/main/jupyter_dark_detect/__init__.py
-        - https://github.com/OpenMined/jupyter-dark-detect/blob/main/jupyter_dark_detect/detector.py
+To update, replace these files from upstream: -
+https://github.com/OpenMined/jupyter-dark-detect/blob/main/jupyter_dark_detect/__init__.py
+-
+https://github.com/OpenMined/jupyter-dark-detect/blob/main/jupyter_dark_detect/detector.py
 
-        Then run 'pixi run fix' to format and check for issues.
+Then run 'pixi run fix' to format and check for issues.
 
-Modules:
-    theme_detect:
-        Custom wrapper around jupyter_dark_detect with optimized
-        detection order for EasyDiffraction's use case.
+Modules: theme_detect: Custom wrapper around jupyter_dark_detect with
+optimized detection order for EasyDiffraction's use case.
 """
diff --git a/src/easydiffraction/utils/_vendored/jupyter_dark_detect/__init__.py b/src/easydiffraction/utils/_vendored/jupyter_dark_detect/__init__.py
index 11ef7b95..640883dd 100644
--- a/src/easydiffraction/utils/_vendored/jupyter_dark_detect/__init__.py
+++ b/src/easydiffraction/utils/_vendored/jupyter_dark_detect/__init__.py
@@ -1,7 +1,7 @@
-"""jupyter-dark-detect: Detect dark mode in Jupyter environments.
+"""Jupyter-dark-detect: Detect dark mode in Jupyter environments.
 
-This package provides a simple API to detect whether Jupyter Notebook/Lab
-is running in dark mode across different environments.
+This package provides a simple API to detect whether Jupyter
+Notebook/Lab is running in dark mode across different environments.
 """
 
 from .detector import is_dark
diff --git a/src/easydiffraction/utils/_vendored/jupyter_dark_detect/detector.py b/src/easydiffraction/utils/_vendored/jupyter_dark_detect/detector.py
index 8f34b5af..e247ba87 100644
--- a/src/easydiffraction/utils/_vendored/jupyter_dark_detect/detector.py
+++ b/src/easydiffraction/utils/_vendored/jupyter_dark_detect/detector.py
@@ -14,14 +14,11 @@
 def is_dark() -> bool:
     """Check if Jupyter Notebook/Lab is running in dark mode.
 
-    This function attempts multiple detection strategies:
-    1. JupyterLab theme settings files
-    2. VS Code settings (when running in VS Code)
-    3. JavaScript DOM inspection
-    4. System preferences (macOS)
-
-    Returns:
-        bool: True if dark mode is detected, False otherwise
+    This function attempts multiple detection strategies: 1. JupyterLab
+    theme settings files 2. VS Code settings (when running in VS Code)
+    3. JavaScript DOM inspection 4. System preferences (macOS)
+
+    Returns:     bool: True if dark mode is detected, False otherwise
     """
     # Try JupyterLab settings first
     result = _check_jupyterlab_settings()
diff --git a/src/easydiffraction/utils/_vendored/theme_detect.py b/src/easydiffraction/utils/_vendored/theme_detect.py
index 1d555f0a..9f75ee72 100644
--- a/src/easydiffraction/utils/_vendored/theme_detect.py
+++ b/src/easydiffraction/utils/_vendored/theme_detect.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Jupyter theme detection with custom detection order.
+"""
+Jupyter theme detection with custom detection order.
 
 This module wraps the vendored jupyter_dark_detect package and provides
 a custom detection order optimized for EasyDiffraction's use case.
@@ -12,15 +13,12 @@
 3. JavaScript DOM inspection (for browser-based environments)
 4. System preferences (macOS, Windows) - fallback only
 
-Note:
-    The detection order differs from upstream jupyter_dark_detect.
-    We prioritize JavaScript DOM inspection over system preferences
-    because the Jupyter theme may differ from the system theme.
+Note: The detection order differs from upstream jupyter_dark_detect. We
+prioritize JavaScript DOM inspection over system preferences because the
+Jupyter theme may differ from the system theme.
 
-Example:
-    >>> from easydiffraction.utils._vendored.theme_detect import is_dark
-    >>> if is_dark():
-    ...     print('Dark mode detected')
+Example: >>> from easydiffraction.utils._vendored.theme_detect import
+is_dark >>> if is_dark(): ...     print('Dark mode detected')
 """
 
 from __future__ import annotations
@@ -37,19 +35,22 @@
 
 
 def is_dark() -> bool:
-    """Check if the Jupyter environment is running in dark mode.
+    """
+    Check if the Jupyter environment is running in dark mode.
 
     This function uses a custom detection order that prioritizes
     Jupyter-specific detection over system preferences.
 
     Detection order:
 
-    1. JupyterLab settings files (most reliable for JupyterLab)
-    2. VS Code settings (when running in VS Code)
-    3. JavaScript DOM inspection (for browser-based Jupyter)
-    4. System preferences (fallback - may differ from Jupyter theme)
+    1. JupyterLab settings files (most reliable for JupyterLab) 2. VS
+    Code settings (when running in VS Code) 3. JavaScript DOM inspection
+    (for browser-based Jupyter) 4. System preferences (fallback - may
+    differ from Jupyter theme)
 
-    Returns:
+    Returns
+    -------
+    bool
         True if dark mode is detected, False otherwise.
     """
     # Try Jupyter-specific methods first
@@ -77,11 +78,14 @@ def is_dark() -> bool:
 
 
 def get_detection_result() -> dict[str, Optional[bool]]:
-    """Get results from all detection methods for debugging.
+    """
+    Get results from all detection methods for debugging.
 
-    Returns:
-        Dictionary with detection method names as keys and their
-        results (True/False/None) as values.
+    Returns
+    -------
+    dict[str, Optional[bool]]
+        Dictionary with detection method names as keys and their results
+        (True/False/None) as values.
     """
     return {
         'jupyterlab_settings': _check_jupyterlab_settings(),
diff --git a/src/easydiffraction/utils/enums.py b/src/easydiffraction/utils/enums.py
new file mode 100644
index 00000000..c4aac164
--- /dev/null
+++ b/src/easydiffraction/utils/enums.py
@@ -0,0 +1,30 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""General-purpose enumerations shared across the library."""
+
+from __future__ import annotations
+
+from enum import Enum
+
+
+class VerbosityEnum(str, Enum):
+    """
+    Console output verbosity level.
+
+    Controls how much information is printed during operations such as
+    data loading, fitting, and saving.
+
+    Members
+    -------
+    FULL Multi-line output with headers, tables, and details. SHORT
+    Single-line status messages per action. SILENT No console output.
+    """
+
+    FULL = 'full'
+    SHORT = 'short'
+    SILENT = 'silent'
+
+    @classmethod
+    def default(cls) -> VerbosityEnum:
+        """Return the default verbosity (FULL)."""
+        return cls.FULL
diff --git a/src/easydiffraction/utils/environment.py b/src/easydiffraction/utils/environment.py
index aa7de5a6..2c518092 100644
--- a/src/easydiffraction/utils/environment.py
+++ b/src/easydiffraction/utils/environment.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
@@ -9,27 +9,50 @@
 
 
 def in_pytest() -> bool:
+    """
+    Determine whether the code is running inside a pytest session.
+
+    Returns
+    -------
+    bool
+        True if pytest is loaded, False otherwise.
+    """
     return 'pytest' in sys.modules
 
 
 def in_warp() -> bool:
+    """
+    Determine whether the terminal is the Warp terminal emulator.
+
+    Returns
+    -------
+    bool
+        True if the TERM_PROGRAM environment variable equals
+        ``'WarpTerminal'``, False otherwise.
+    """
     return os.getenv('TERM_PROGRAM') == 'WarpTerminal'
 
 
 def in_pycharm() -> bool:
-    """Determines if the current environment is PyCharm.
+    """
+    Check whether the current environment is PyCharm.
 
-    Returns:
-        bool: True if running inside PyCharm, False otherwise.
+    Returns
+    -------
+    bool
+        True if running inside PyCharm, False otherwise.
     """
     return os.environ.get('PYCHARM_HOSTED') == '1'
 
 
 def in_colab() -> bool:
-    """Determines if the current environment is Google Colab.
+    """
+    Check whether the current environment is Google Colab.
 
-    Returns:
-        bool: True if running in Google Colab, False otherwise.
+    Returns
+    -------
+    bool
+        True if running in Google Colab, False otherwise.
     """
     try:
         return find_spec('google.colab') is not None
@@ -38,10 +61,13 @@ def in_colab() -> bool:
 
 
 def in_jupyter() -> bool:
-    """Return True when running inside a Jupyter Notebook.
+    """
+    Return True when running inside a Jupyter Notebook.
 
-    Returns:
-        bool: True if inside a Jupyter Notebook, False otherwise.
+    Returns
+    -------
+    bool
+        True if inside a Jupyter Notebook, False otherwise.
     """
     try:
         import IPython  # type: ignore[import-not-found]
@@ -76,11 +102,13 @@ def in_jupyter() -> bool:
 
 
 def in_github_ci() -> bool:
-    """Return True when running under GitHub Actions CI.
+    """
+    Return True when running under GitHub Actions CI.
 
-    Returns:
-        bool: True if env var ``GITHUB_ACTIONS`` is set, False
-        otherwise.
+    Returns
+    -------
+    bool
+        True if env var ``GITHUB_ACTIONS`` is set, False otherwise.
     """
     return os.environ.get('GITHUB_ACTIONS') is not None
 
@@ -91,12 +119,13 @@ def in_github_ci() -> bool:
 
 
 def is_ipython_display_handle(obj: object) -> bool:
-    """Return True if ``obj`` is an IPython DisplayHandle instance.
+    """
+    Return True if ``obj`` is an IPython DisplayHandle instance.
 
     Tries to import ``IPython.display.DisplayHandle`` and uses
-    ``isinstance`` when available. Falls back to a conservative
-    module name heuristic if IPython is missing. Any errors result
-    in ``False``.
+    ``isinstance`` when available. Falls back to a conservative module
+    name heuristic if IPython is missing. Any errors result in
+    ``False``.
     """
     try:  # Fast path when IPython is available
         from IPython.display import DisplayHandle  # type: ignore[import-not-found]
@@ -115,7 +144,8 @@ def is_ipython_display_handle(obj: object) -> bool:
 
 
 def can_update_ipython_display() -> bool:
-    """Return True if IPython HTML display utilities are available.
+    """
+    Return True if IPython HTML display utilities are available.
 
     This indicates we can safely construct ``IPython.display.HTML`` and
     update a display handle.
@@ -129,7 +159,8 @@ def can_update_ipython_display() -> bool:
 
 
 def can_use_ipython_display(handle: object) -> bool:
-    """Return True if we can update the given IPython DisplayHandle.
+    """
+    Return True if we can update the given IPython DisplayHandle.
 
     Combines type checking of the handle with availability of IPython
     HTML utilities.
diff --git a/src/easydiffraction/utils/logging.py b/src/easydiffraction/utils/logging.py
index 056d650b..876d7956 100644
--- a/src/easydiffraction/utils/logging.py
+++ b/src/easydiffraction/utils/logging.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-"""Project-wide logging utilities built on top of Rich.
+"""
+Project-wide logging utilities built on top of Rich.
 
 Provides a shared Rich console, a compact/verbose logger with consistent
 formatting, Jupyter traceback handling, and a small printing façade
@@ -43,9 +44,7 @@
 
 
 class IconifiedRichHandler(RichHandler):
-    """RichHandler that uses icons for log levels in compact mode, Rich
-    default in verbose mode.
-    """
+    """RichHandler using icons (compact) or names (verbose)."""
 
     _icons = {
         logging.CRITICAL: '💀',
@@ -55,11 +54,24 @@ class IconifiedRichHandler(RichHandler):
         logging.INFO: 'ℹ️',
     }
 
-    def __init__(self, *args, mode: str = 'compact', **kwargs):
+    def __init__(self, *args: object, mode: str = 'compact', **kwargs: object) -> None:
         super().__init__(*args, **kwargs)
         self.mode = mode
 
     def get_level_text(self, record: logging.LogRecord) -> Text:
+        """
+        Return an icon or level name for the log record.
+
+        Parameters
+        ----------
+        record : logging.LogRecord
+            The log record being rendered.
+
+        Returns
+        -------
+        Text
+            A Rich Text object with the level indicator.
+        """
         if self.mode == 'compact':
             icon = self._icons.get(record.levelno, record.levelname)
             if in_warp() and not in_jupyter() and icon in ['⚠️', '⚙️', 'ℹ️']:
@@ -70,9 +82,21 @@ def get_level_text(self, record: logging.LogRecord) -> Text:
             return super().get_level_text(record)
 
     def render_message(self, record: logging.LogRecord, message: str) -> Text:
-        # In compact mode, let the icon come from get_level_text and
-        # keep the message body unadorned. In verbose mode, defer to
-        # RichHandler.
+        """
+        Render the log message body as a Rich Text object.
+
+        Parameters
+        ----------
+        record : logging.LogRecord
+            The log record being rendered.
+        message : str
+            Pre-formatted log message string.
+
+        Returns
+        -------
+        Text
+            A Rich Text object with the rendered message.
+        """
         if self.mode == 'compact':
             try:
                 return Text.from_markup(message)
@@ -94,9 +118,12 @@ class ConsoleManager:
 
     @staticmethod
     def _detect_width() -> int:
-        """Detect a suitable console width for the shared Console.
+        """
+        Detect a suitable console width for the shared Console.
 
-        Returns:
+        Returns
+        -------
+        int
             The detected terminal width, clamped at
             ``_MIN_CONSOLE_WIDTH`` to avoid cramped layouts.
         """
@@ -134,13 +161,19 @@ def setup_handlers(
         rich_tracebacks: bool,
         mode: str = 'compact',
     ) -> None:
-        """Install Rich handler and optional Jupyter traceback support.
-
-        Args:
-            logger: Logger instance to attach handlers to.
-            level: Minimum log level to emit.
-            rich_tracebacks: Whether to enable Rich tracebacks.
-            mode: Output mode name ("compact" or "verbose").
+        """
+        Install Rich handler and optional Jupyter traceback support.
+
+        Parameters
+        ----------
+        logger : logging.Logger
+            Logger instance to attach handlers to.
+        level : int
+            Minimum log level to emit.
+        rich_tracebacks : bool
+            Whether to enable Rich tracebacks.
+        mode : str, default='compact'
+            Output mode name ("compact" or "verbose").
         """
         logger.handlers.clear()
         logger.propagate = False
@@ -175,13 +208,19 @@ def configure(
         level: 'Logger.Level',
         rich_tracebacks: bool,
     ) -> None:
-        """Configure the logger with RichHandler and exception hooks.
-
-        Args:
-            logger: Logger instance to configure.
-            mode: Output mode (compact or verbose).
-            level: Minimum log level to emit.
-            rich_tracebacks: Whether to enable Rich tracebacks.
+        """
+        Configure the logger with RichHandler and exception hooks.
+
+        Parameters
+        ----------
+        logger : logging.Logger
+            Logger instance to configure.
+        mode : 'Logger.Mode'
+            Output mode (compact or verbose).
+        level : 'Logger.Level'
+            Minimum log level to emit.
+        rich_tracebacks : bool
+            Whether to enable Rich tracebacks.
         """
         LoggerConfig.setup_handlers(
             logger,
@@ -204,10 +243,13 @@ class ExceptionHookManager:
 
     @staticmethod
     def install_verbose_hook(logger: logging.Logger) -> None:
-        """Install a verbose exception hook that prints rich tracebacks.
+        """
+        Install a verbose exception hook that prints rich tracebacks.
 
-        Args:
-            logger: Logger used to emit the exception information.
+        Parameters
+        ----------
+        logger : logging.Logger
+            Logger used to emit the exception information.
         """
         if not hasattr(Logger, '_orig_excepthook'):
             Logger._orig_excepthook = sys.excepthook  # type: ignore[attr-defined]
@@ -217,6 +259,7 @@ def aligned_excepthook(
             exc: BaseException,
             tb: 'TracebackType | None',
         ) -> None:
+            """Log the exception with full traceback via Rich."""
             original_args = getattr(exc, 'args', tuple())
             message = str(exc)
             with suppress(Exception):
@@ -233,10 +276,13 @@ def aligned_excepthook(
 
     @staticmethod
     def install_compact_hook(logger: logging.Logger) -> None:
-        """Install a compact exception hook that logs message-only.
+        """
+        Install a compact exception hook that logs message-only.
 
-        Args:
-            logger: Logger used to emit the error message.
+        Parameters
+        ----------
+        logger : logging.Logger
+            Logger used to emit the error message.
         """
         if not hasattr(Logger, '_orig_excepthook'):
             Logger._orig_excepthook = sys.excepthook  # type: ignore[attr-defined]
@@ -246,33 +292,39 @@ def compact_excepthook(
             exc: BaseException,
             _tb: 'TracebackType | None',
         ) -> None:
+            """Log the exception message and exit."""
             logger.error(str(exc))
             raise SystemExit(1)
 
         sys.excepthook = compact_excepthook  # type: ignore[assignment]
 
     @staticmethod
-    def restore_original_hook():
+    def restore_original_hook() -> None:
         """Restore the original sys.excepthook if it was overridden."""
         if hasattr(Logger, '_orig_excepthook'):
             sys.excepthook = Logger._orig_excepthook  # type: ignore[attr-defined]
 
     # Jupyter-specific traceback suppression (inlined here)
     @staticmethod
-    def _suppress_traceback(logger):
-        """Build a Jupyter custom exception callback that logs only the
-        message.
+    def _suppress_traceback(logger: object) -> object:
+        """
+        Build a Jupyter exception callback that logs the message only.
 
-        Args:
-            logger: Logger used to emit error messages.
+        Parameters
+        ----------
+        logger : object
+            Logger used to emit error messages.
 
-        Returns:
+        Returns
+        -------
+        object
             A callable suitable for IPython's set_custom_exc that
             suppresses full tracebacks and logs only the exception
             message.
         """
 
-        def suppress_jupyter_traceback(*args, **kwargs):
+        def suppress_jupyter_traceback(*args: object, **kwargs: object) -> None:
+            """Log only the exception message."""
             try:
                 _evalue = (
                     args[2] if len(args) > 2 else kwargs.get('_evalue') or kwargs.get('evalue')
@@ -286,11 +338,13 @@ def suppress_jupyter_traceback(*args, **kwargs):
 
     @staticmethod
     def install_jupyter_traceback_suppressor(logger: logging.Logger) -> None:
-        """Install a Jupyter/IPython custom exception handler that
-        suppresses tracebacks.
+        """
+        Install a Jupyter/IPython exception handler for tracebacks.
 
-        Args:
-            logger: Logger used to emit error messages.
+        Parameters
+        ----------
+        logger : logging.Logger
+            Logger used to emit error messages.
         """
         try:
             from IPython import get_ipython
@@ -311,11 +365,11 @@ def install_jupyter_traceback_suppressor(logger: logging.Logger) -> None:
 
 
 class Logger:
-    """Centralized logging with Rich formatting and two modes.
+    """
+    Centralized logging with Rich formatting and two modes.
 
-    Environment variables:
-    ED_LOG_MODE: set default mode ('verbose' or 'compact')
-    ED_LOG_LEVEL: set default level ('DEBUG', 'INFO', etc.)
+    Environment variables: ED_LOG_MODE: set default mode ('verbose' or
+    'compact') ED_LOG_LEVEL: set default level ('DEBUG', 'INFO', etc.)
     """
 
     # --- Enums ---
@@ -326,7 +380,8 @@ class Mode(Enum):
         COMPACT = 'compact'  # single line; no traceback
 
         @classmethod
-        def default(cls):
+        def default(cls) -> Logger.Mode:
+            """Return the default output mode (compact)."""
             return cls.COMPACT
 
     class Level(IntEnum):
@@ -339,7 +394,8 @@ class Level(IntEnum):
         CRITICAL = logging.CRITICAL
 
         @classmethod
-        def default(cls):
+        def default(cls) -> Logger.Level:
+            """Return the default log level (WARNING)."""
             return cls.WARNING
 
     class Reaction(Enum):
@@ -349,7 +405,8 @@ class Reaction(Enum):
         WARN = auto()
 
         @classmethod
-        def default(cls):
+        def default(cls) -> Logger.Reaction:
+            """Return the default error reaction (RAISE)."""
             return cls.RAISE
 
     # --- Internal state ---
@@ -369,15 +426,15 @@ def configure(
         reaction: Reaction | None = None,
         rich_tracebacks: bool | None = None,
     ) -> None:
-        """Configure logger.
+        """
+        Configure logger.
 
-        mode: default COMPACT in Jupyter else VERBOSE
-        level: minimum log level
-        rich_tracebacks: override automatic choice
+        mode: default COMPACT in Jupyter else VERBOSE level: minimum log
+        level rich_tracebacks: override automatic choice
 
-        Environment variables:
-        ED_LOG_MODE: set default mode ('verbose' or 'compact')
-        ED_LOG_LEVEL: set default level ('DEBUG', 'INFO', etc.)
+        Environment variables: ED_LOG_MODE: set default mode ('verbose'
+        or 'compact') ED_LOG_LEVEL: set default level ('DEBUG', 'INFO',
+        etc.)
         """
         env_mode = os.getenv('ED_LOG_MODE')
         env_level = os.getenv('ED_LOG_LEVEL')
@@ -418,22 +475,44 @@ def configure(
 
     @classmethod
     def _install_jupyter_traceback_suppressor(cls) -> None:
-        """Install traceback suppressor in Jupyter, safely and lint-
-        clean.
-        """
+        """Install the Jupyter traceback suppressor safely."""
         ExceptionHookManager.install_jupyter_traceback_suppressor(cls._logger)
 
     # ===== Helpers =====
     @classmethod
     def set_mode(cls, mode: Mode) -> None:
+        """
+        Set the output mode and reconfigure the logger.
+
+        Parameters
+        ----------
+        mode : Mode
+            The desired output mode (VERBOSE or COMPACT).
+        """
         cls.configure(mode=mode, level=cls.Level(cls._logger.level))
 
     @classmethod
     def set_level(cls, level: Level) -> None:
+        """
+        Set the minimum log level and reconfigure the logger.
+
+        Parameters
+        ----------
+        level : Level
+            The desired minimum log level.
+        """
         cls.configure(mode=cls._mode, level=level)
 
     @classmethod
     def mode(cls) -> Mode:
+        """
+        Return the currently active output mode.
+
+        Returns
+        -------
+        Mode
+            The current Logger.Mode value.
+        """
         return cls._mode
 
     @classmethod
@@ -478,22 +557,68 @@ def handle(
 
     @classmethod
     def debug(cls, *messages: str) -> None:
+        """
+        Log one or more messages at DEBUG level.
+
+        Parameters
+        ----------
+        *messages : str
+            Message parts joined with a space before logging.
+        """
         cls.handle(*messages, level=cls.Level.DEBUG, exc_type=None)
 
     @classmethod
     def info(cls, *messages: str) -> None:
+        """
+        Log one or more messages at INFO level.
+
+        Parameters
+        ----------
+        *messages : str
+            Message parts joined with a space before logging.
+        """
         cls.handle(*messages, level=cls.Level.INFO, exc_type=None)
 
     @classmethod
     def warning(cls, *messages: str, exc_type: type[BaseException] | None = None) -> None:
+        """
+        Log one or more messages at WARNING level.
+
+        Parameters
+        ----------
+        *messages : str
+            Message parts joined with a space before logging.
+        exc_type : type[BaseException] | None, default=None
+            If provided, raise this exception type instead of logging.
+        """
         cls.handle(*messages, level=cls.Level.WARNING, exc_type=exc_type)
 
     @classmethod
     def error(cls, *messages: str, exc_type: type[BaseException] = AttributeError) -> None:
+        """
+        Log one or more messages at ERROR level.
+
+        Parameters
+        ----------
+        *messages : str
+            Message parts joined with a space before logging.
+        exc_type : type[BaseException], default=AttributeError
+            Exception type to raise in VERBOSE/COMPACT mode.
+        """
         cls.handle(*messages, level=cls.Level.ERROR, exc_type=exc_type)
 
     @classmethod
     def critical(cls, *messages: str, exc_type: type[BaseException] = RuntimeError) -> None:
+        """
+        Log one or more messages at CRITICAL level.
+
+        Parameters
+        ----------
+        *messages : str
+            Message parts joined with a space before logging.
+        exc_type : type[BaseException], default=RuntimeError
+            Exception type to raise in VERBOSE/COMPACT mode.
+        """
         cls.handle(*messages, level=cls.Level.CRITICAL, exc_type=exc_type)
 
 
@@ -503,20 +628,18 @@ def critical(cls, *messages: str, exc_type: type[BaseException] = RuntimeError)
 
 
 class ConsolePrinter:
-    """Printer utility that prints objects to the shared console with
-    left padding.
-    """
+    """Printer utility for the shared console with left padding."""
 
     _console = ConsoleManager.get()
 
     @classmethod
-    def print(cls, *objects, **kwargs):
-        """Print objects to the console with left padding.
+    def print(cls, *objects: object, **kwargs: object) -> None:
+        """
+        Print objects to the console with left padding.
 
         - Renderables (Rich types like Text, Table, Panel, etc.) are
-          kept as-is.
-        - Non-renderables (ints, floats, Path, etc.) are converted to
-          str().
+        kept as-is. - Non-renderables (ints, floats, Path, etc.) are
+        converted to   str().
         """
         safe_objects = []
         for obj in objects:
@@ -538,6 +661,15 @@ def print(cls, *objects, **kwargs):
 
     @classmethod
     def paragraph(cls, title: str) -> None:
+        """
+        Print a bold blue paragraph heading.
+
+        Parameters
+        ----------
+        title : str
+            Heading text; substrings enclosed in single quotes are
+            rendered without the bold-blue style.
+        """
         parts = re.split(r"('.*?')", title)
         text = Text()
         for part in parts:
@@ -552,7 +684,7 @@ def paragraph(cls, title: str) -> None:
 
     @classmethod
     def section(cls, title: str) -> None:
-        """Formats a section header with bold green text."""
+        """Format a section header with bold green text."""
         full_title = f'{title.upper()}'
         line = '—' * len(full_title)
         formatted = f'[bold green]{line}\n{full_title}\n{line}[/bold green]'
@@ -562,9 +694,7 @@ def section(cls, title: str) -> None:
 
     @classmethod
     def chapter(cls, title: str) -> None:
-        """Formats a chapter header with bold magenta text, uppercase,
-        and padding.
-        """
+        """Format a chapter header in bold magenta, uppercase."""
         width = ConsoleManager._detect_width()
         symbol = '—'
         full_title = f' {title.upper()} '
diff --git a/src/easydiffraction/utils/utils.py b/src/easydiffraction/utils/utils.py
index 2b6f9c50..5527629f 100644
--- a/src/easydiffraction/utils/utils.py
+++ b/src/easydiffraction/utils/utils.py
@@ -1,13 +1,12 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from __future__ import annotations
 
+import functools
 import json
 import pathlib
-import re
 import urllib.request
-from functools import lru_cache
 from importlib.metadata import PackageNotFoundError
 from importlib.metadata import version
 from typing import List
@@ -30,13 +29,18 @@
 
 
 def _validate_url(url: str) -> None:
-    """Validate that a URL uses only safe HTTP/HTTPS schemes.
+    """
+    Validate that a URL uses only safe HTTP/HTTPS schemes.
 
-    Args:
-        url: The URL to validate.
+    Parameters
+    ----------
+    url : str
+        The URL to validate.
 
-    Raises:
-        ValueError: If the URL scheme is not HTTP or HTTPS.
+    Raises
+    ------
+    ValueError
+        If the URL scheme is not HTTP or HTTPS.
     """
     parsed = urlparse(url)
     if parsed.scheme not in ('http', 'https'):
@@ -44,16 +48,15 @@ def _validate_url(url: str) -> None:
 
 
 def _filename_for_id_from_url(data_id: int | str, url: str) -> str:
-    """Return local filename like 'ed-12.xye' using extension from the
-    URL.
-    """
+    """Return local filename using the extension from the URL."""
     suffix = pathlib.Path(urlparse(url).path).suffix  # includes leading dot ('.cif', '.xye', ...)
     # If URL has no suffix, fall back to no extension.
     return f'ed-{data_id}{suffix}'
 
 
 def _normalize_known_hash(value: str | None) -> str | None:
-    """Return pooch-compatible known_hash or None.
+    """
+    Return pooch-compatible known_hash or None.
 
     Treat placeholder values like 'sha256:...' as unset.
     """
@@ -65,16 +68,13 @@ def _normalize_known_hash(value: str | None) -> str | None:
     return value
 
 
-@lru_cache(maxsize=1)
 def _fetch_data_index() -> dict:
-    """Fetch & cache the diffraction data index.json and return it as
-    dict.
-    """
+    """Fetch and cache the diffraction data index.json."""
     index_url = 'https://raw.githubusercontent.com/easyscience/data/refs/heads/master/diffraction/index.json'
     _validate_url(index_url)
 
     # macOS: sha256sum index.json
-    index_hash = 'sha256:9aceaf51d298992058c80903283c9a83543329a063692d49b7aaee1156e76884'
+    index_hash = 'sha256:f421aab32ec532782dc62f4440a97320e5cec23b9e64f5ae3f8a3e818d013430'
     destination_dirname = 'easydiffraction'
     destination_fname = 'data-index.json'
     cache_dir = pooch.os_cache(destination_dirname)
@@ -91,20 +91,22 @@ def _fetch_data_index() -> dict:
         return json.load(f)
 
 
-@lru_cache(maxsize=1)
+@functools.lru_cache(maxsize=1)
 def _fetch_tutorials_index() -> dict:
-    """Fetch & cache the tutorials index.json from gh-pages and return
-    it as dict.
+    """
+    Fetch and cache the tutorials index.json from gh-pages.
 
     The index is fetched from:
     https://easyscience.github.io/diffraction-lib/{version}/tutorials/index.json
 
-    For released versions, {version} is the public version string
-    (e.g., '0.8.0.post1'). For development versions, 'dev' is used.
+    For released versions, {version} is the public version string (e.g.,
+    '0.8.0.post1'). For development versions, 'dev' is used.
 
-    Returns:
-        dict: The tutorials index as a dictionary, or empty dict if
-            fetch fails.
+    Returns
+    -------
+    dict
+        The tutorials index as a dictionary, or empty dict if fetch
+        fails.
     """
     version = _get_version_for_url()
     index_url = f'https://easyscience.github.io/diffraction-lib/{version}/tutorials/index.json'
@@ -126,24 +128,29 @@ def download_data(
     destination: str = 'data',
     overwrite: bool = False,
 ) -> str:
-    """Download a dataset by numeric ID using the remote diffraction
-    index.
-
-    Example:
-        path = download_data(id=12, destination="data")
+    """
+    Download a dataset by numeric ID using the remote diffraction index.
 
-    Args:
-        id: Numeric dataset id (e.g. 12).
-        destination: Directory to save the file into (created if
-            missing).
-        overwrite: Whether to overwrite the file if it already exists.
+    Example: path = download_data(id=12, destination="data")
 
-    Returns:
-        str: Full path to the downloaded file as string.
+    Parameters
+    ----------
+    id : int | str
+        Numeric dataset id (e.g. 12).
+    destination : str, default='data'
+        Directory to save the file into (created if missing).
+    overwrite : bool, default=False
+        Whether to overwrite the file if it already exists.
+
+    Returns
+    -------
+    str
+        Full path to the downloaded file as string.
 
-    Raises:
-        KeyError: If the id is not found in the index.
-        ValueError: If the resolved URL is not HTTP/HTTPS.
+    Raises
+    ------
+    KeyError
+        If the id is not found in the index.
     """
     index = _fetch_data_index()
     key = str(id)
@@ -196,14 +203,19 @@ def download_data(
 
 
 def package_version(package_name: str) -> str | None:
-    """Get the installed version string of the specified package.
+    """
+    Get the installed version string of the specified package.
 
-    Args:
-        package_name (str): The name of the package to query.
+    Parameters
+    ----------
+    package_name : str
+        The name of the package to query.
 
-    Returns:
-        str | None: The raw version string (may include local part,
-        e.g., '1.2.3+abc123'), or None if the package is not installed.
+    Returns
+    -------
+    str | None
+        The raw version string (may include local part, e.g.,
+        '1.2.3+abc123'), or None if the package is not installed.
     """
     try:
         return version(package_name)
@@ -212,18 +224,22 @@ def package_version(package_name: str) -> str | None:
 
 
 def stripped_package_version(package_name: str) -> str | None:
-    """Get the installed version of the specified package, stripped of
-    any local version part.
+    """
+    Get installed package version, stripped of local version parts.
 
     Returns only the public version segment (e.g., '1.2.3' or
     '1.2.3.post4'), omitting any local segment (e.g., '+d136').
 
-    Args:
-        package_name (str): The name of the package to query.
+    Parameters
+    ----------
+    package_name : str
+        The name of the package to query.
 
-    Returns:
-        str | None: The public version string, or None if the package
-        is not installed.
+    Returns
+    -------
+    str | None
+        The public version string, or None if the package is not
+        installed.
     """
     v_str = package_version(package_name)
     if v_str is None:
@@ -236,21 +252,22 @@ def stripped_package_version(package_name: str) -> str | None:
 
 
 def _is_dev_version(package_name: str) -> bool:
-    """Check if the installed package version is a development/local
-    version.
+    """
+    Check if the installed package version is a dev version.
 
-    A version is considered "dev" if:
-    - The raw version contains '+dev', '+dirty', or '+devdirty' (local
-      suffixes from versioningit)
-    - The public version is '999.0.0' (versioningit default-tag
-      fallback)
+    A version is considered "dev" if: - The raw version contains '+dev',
+    '+dirty', or '+devdirty' (local suffixes from versioningit) - The
+    public version is '999.0.0' (versioningit default-tag fallback)
 
-    Args:
-        package_name (str): The name of the package to query.
+    Parameters
+    ----------
+    package_name : str
+        The name of the package to query.
 
-    Returns:
-        bool: True if the version is a development version, False
-            otherwise.
+    Returns
+    -------
+    bool
+        True if the version is a development version, False otherwise.
     """
     raw_version = package_version(package_name)
     if raw_version is None:
@@ -266,26 +283,31 @@ def _is_dev_version(package_name: str) -> bool:
 
 
 def _get_version_for_url(package_name: str = 'easydiffraction') -> str:
-    """Get the version string to use in URLs for fetching remote
-    resources.
+    """
+    Get the version string to use in URLs for fetching remote resources.
 
     Returns the public version for released versions, or 'dev' for
     development/local versions.
 
-    Args:
-        package_name (str): The name of the package to query.
+    Parameters
+    ----------
+    package_name : str, default='easydiffraction'
+        The name of the package to query.
 
-    Returns:
-        str: The version string to use in URLs ('dev' or a version like
-            '0.8.0.post1').
+    Returns
+    -------
+    str
+        The version string to use in URLs ('dev' or a version like
+        '0.8.0.post1').
     """
     if _is_dev_version(package_name):
         return 'dev'
     return stripped_package_version(package_name) or 'dev'
 
 
-def _safe_urlopen(request_or_url):  # type: ignore[no-untyped-def]
-    """Wrapper for urlopen with prior validation.
+def _safe_urlopen(request_or_url: object) -> object:  # type: ignore[no-untyped-def]
+    """
+    Open a URL with prior validation.
 
     Centralises lint suppression for validated HTTPS requests.
     """
@@ -302,25 +324,29 @@ def _safe_urlopen(request_or_url):  # type: ignore[no-untyped-def]
 
 
 def _resolve_tutorial_url(url_template: str) -> str:
-    """Replace {version} placeholder in URL template with actual
-    version.
+    """
+    Replace {version} placeholder in URL template with actual version.
 
-    Args:
-        url_template (str): URL template containing {version}
-            placeholder.
+    Parameters
+    ----------
+    url_template : str
+        URL template containing {version} placeholder.
 
-    Returns:
-        str: URL with {version} replaced by actual version string.
+    Returns
+    -------
+    str
+        URL with {version} replaced by actual version string.
     """
     version = _get_version_for_url()
     return url_template.replace('{version}', version)
 
 
 def list_tutorials() -> None:
-    """Display a table of available tutorial notebooks.
+    """
+    Display a table of available tutorial notebooks.
 
-    Shows tutorial ID, filename, title, and description for all
-    tutorials available for the current version of easydiffraction.
+    Shows tutorial ID, filename and title for all tutorials available
+    for the current version of easydiffraction.
     """
     index = _fetch_tutorials_index()
     if not index:
@@ -328,19 +354,17 @@ def list_tutorials() -> None:
         return
 
     version = _get_version_for_url()
-    console.print(f'Tutorials available for easydiffraction v{version}:')
-    console.print('')
+    console.paragraph(f'Tutorials available for easydiffraction v{version}:')
 
-    columns_headers = ['id', 'file', 'title', 'description']
-    columns_alignment = ['right', 'left', 'left', 'left']
+    columns_headers = ['id', 'file', 'title']
+    columns_alignment = ['right', 'left', 'left']
     columns_data = []
 
-    for tutorial_id in sorted(index.keys(), key=lambda x: int(x) if x.isdigit() else x):
+    for tutorial_id in index:
         record = index[tutorial_id]
         filename = f'ed-{tutorial_id}.ipynb'
         title = record.get('title', '')
-        description = record.get('description', '')
-        columns_data.append([tutorial_id, filename, title, description])
+        columns_data.append([tutorial_id, filename, title])
 
     render_table(
         columns_headers=columns_headers,
@@ -354,23 +378,29 @@ def download_tutorial(
     destination: str = 'tutorials',
     overwrite: bool = False,
 ) -> str:
-    """Download a tutorial notebook by numeric ID.
-
-    Example:
-        path = download_tutorial(id=1, destination="tutorials")
+    """
+    Download a tutorial notebook by numeric ID.
 
-    Args:
-        id: Numeric tutorial id (e.g. 1).
-        destination: Directory to save the file into (created if
-            missing).
-        overwrite: Whether to overwrite the file if it already exists.
+    Example: path = download_tutorial(id=1, destination="tutorials")
 
-    Returns:
-        str: Full path to the downloaded file as string.
+    Parameters
+    ----------
+    id : int | str
+        Numeric tutorial id (e.g. 1).
+    destination : str, default='tutorials'
+        Directory to save the file into (created if missing).
+    overwrite : bool, default=False
+        Whether to overwrite the file if it already exists.
+
+    Returns
+    -------
+    str
+        Full path to the downloaded file as string.
 
-    Raises:
-        KeyError: If the id is not found in the index.
-        ValueError: If the resolved URL is not HTTP/HTTPS.
+    Raises
+    ------
+    KeyError
+        If the id is not found in the index.
     """
     index = _fetch_tutorials_index()
     key = str(id)
@@ -421,18 +451,22 @@ def download_all_tutorials(
     destination: str = 'tutorials',
     overwrite: bool = False,
 ) -> list[str]:
-    """Download all available tutorial notebooks.
+    """
+    Download all available tutorial notebooks.
 
-    Example:
-        paths = download_all_tutorials(destination="tutorials")
+    Example: paths = download_all_tutorials(destination="tutorials")
 
-    Args:
-        destination: Directory to save the files into (created if
-            missing).
-        overwrite: Whether to overwrite files if they already exist.
+    Parameters
+    ----------
+    destination : str, default='tutorials'
+        Directory to save the files into (created if missing).
+    overwrite : bool, default=False
+        Whether to overwrite files if they already exist.
 
-    Returns:
-        list[str]: List of full paths to the downloaded files.
+    Returns
+    -------
+    list[str]
+        List of full paths to the downloaded files.
     """
     index = _fetch_tutorials_index()
     if not index:
@@ -459,11 +493,7 @@ def download_all_tutorials(
 
 
 def show_version() -> None:
-    """Print the installed version of the easydiffraction package.
-
-    Args:
-        None
-    """
+    """Print the installed version of the easydiffraction package."""
     current_ed_version = package_version('easydiffraction')
     console.print(f'Current easydiffraction v{current_ed_version}')
 
@@ -471,11 +501,27 @@ def show_version() -> None:
 # TODO: This is a temporary utility function. Complete migration to
 #  TableRenderer (as e.g. in show_all_params) and remove this.
 def render_table(
-    columns_data,
-    columns_alignment,
-    columns_headers=None,
-    display_handle=None,
-):
+    columns_data: object,
+    columns_alignment: object,
+    columns_headers: object = None,
+    display_handle: object = None,
+) -> None:
+    """
+    Render tabular data to the active display backend.
+
+    Parameters
+    ----------
+    columns_data : object
+        A list of rows, where each row is a list of cell values.
+    columns_alignment : object
+        A list of alignment strings (e.g. ``'left'``, ``'right'``,
+        ``'center'``) matching the number of columns.
+    columns_headers : object, default=None
+        Optional list of column header strings.
+    display_handle : object, default=None
+        Optional display handle for in-place updates (e.g. in Jupyter or
+        a terminal Live context).
+    """
     headers = [
         (col, align) for col, align in zip(columns_headers, columns_alignment, strict=False)
     ]
@@ -485,12 +531,14 @@ def render_table(
     tabler.render(df, display_handle=display_handle)
 
 
-def render_cif(cif_text) -> None:
-    """Display the CIF text as a formatted table in Jupyter Notebook or
-    terminal.
+def render_cif(cif_text: str) -> None:
+    """
+    Display CIF text as a formatted table in Jupyter or terminal.
 
-    Args:
-        cif_text: The CIF text to display.
+    Parameters
+    ----------
+    cif_text : str
+        The CIF text to display.
     """
     # Split into lines
     lines: List[str] = [line for line in cif_text.splitlines()]
@@ -511,37 +559,42 @@ def tof_to_d(
     offset: float,
     linear: float,
     quad: float,
-    quad_eps=1e-20,
+    quad_eps: float = 1e-20,
 ) -> np.ndarray:
-    """Convert time-of-flight (TOF) to d-spacing using a quadratic
-    calibration.
-
-    Model:
-        TOF = offset + linear * d + quad * d²
-
-    The function:
-      - Uses a linear fallback when the quadratic term is effectively
-        zero.
-      - Solves the quadratic for d and selects the smallest positive,
-        finite root.
-      - Returns NaN where no valid solution exists.
-      - Expects ``tof`` as a NumPy array; output matches its shape.
-
-    Args:
-        tof (np.ndarray): Time-of-flight values (µs). Must be a NumPy
-            array.
-        offset (float): Calibration offset (µs).
-        linear (float): Linear calibration coefficient (µs/Å).
-        quad (float): Quadratic calibration coefficient (µs/Ų).
-        quad_eps (float, optional): Threshold to treat ``quad`` as zero.
-            Defaults to 1e-20.
-
-    Returns:
-        np.ndarray: d-spacing values (Å), NaN where invalid.
-
-    Raises:
-        TypeError: If ``tof`` is not a NumPy array or coefficients are
-            not real numbers.
+    """
+    Convert time-of-flight to d-spacing using quadratic calibration.
+
+    Model: TOF = offset + linear * d + quad * d²
+
+    The function: - Uses a linear fallback when the quadratic term is
+    effectively zero. - Solves the quadratic for d and selects the
+    smallest positive, finite root. - Returns NaN where no valid
+    solution exists. - Expects ``tof`` as a NumPy array; output matches
+    its shape.
+
+    Parameters
+    ----------
+    tof : np.ndarray
+        Time-of-flight values (µs). Must be a NumPy array.
+    offset : float
+        Calibration offset (µs).
+    linear : float
+        Linear calibration coefficient (µs/Å).
+    quad : float
+        Quadratic calibration coefficient (µs/Ų).
+    quad_eps : float, default=1e-20
+        Threshold to treat ``quad`` as zero.
+
+    Returns
+    -------
+    np.ndarray
+        d-spacing values (Å), NaN where invalid.
+
+    Raises
+    ------
+    TypeError
+        If ``tof`` is not a NumPy array or coefficients are not real
+        numbers.
     """
     # Type checks
     if not isinstance(tof, np.ndarray):
@@ -595,15 +648,21 @@ def tof_to_d(
     return d_out
 
 
-def twotheta_to_d(twotheta, wavelength):
-    """Convert 2-theta to d-spacing using Bragg's law.
+def twotheta_to_d(twotheta: object, wavelength: float) -> object:
+    """
+    Convert 2-theta to d-spacing using Bragg's law.
 
-    Parameters:
-        twotheta (float or np.ndarray): 2-theta angle in degrees.
-        wavelength (float): Wavelength in Å.
+    Parameters
+    ----------
+    twotheta : object
+        2-theta angle in degrees (float or np.ndarray).
+    wavelength : float
+        Wavelength in Å.
 
-    Returns:
-        d (float or np.ndarray): d-spacing in Å.
+    Returns
+    -------
+    object
+        d-spacing in Å (float or np.ndarray).
     """
     # Convert twotheta from degrees to radians
     theta_rad = np.radians(twotheta / 2)
@@ -614,62 +673,53 @@ def twotheta_to_d(twotheta, wavelength):
     return d
 
 
-def get_value_from_xye_header(file_path, key):
-    """Extracts a floating point value from the first line of the file,
-    corresponding to the given key.
-
-    Parameters:
-        file_path (str): Path to the input file.
-        key (str): The key to extract ('DIFC' or 'two_theta').
+def sin_theta_over_lambda_to_d_spacing(sin_theta_over_lambda: object) -> object:
+    """
+    Convert sin(theta)/lambda to d-spacing.
 
-    Returns:
-        float: The extracted value.
+    Parameters
+    ----------
+    sin_theta_over_lambda : object
+        sin(theta)/lambda in 1/Å (float or np.ndarray).
 
-    Raises:
-        ValueError: If the key is not found.
+    Returns
+    -------
+    object
+        d-spacing in Å (float or np.ndarray).
     """
-    pattern = rf'{key}\s*=\s*([-+]?[0-9]*\.?[0-9]+([eE][-+]?[0-9]+)?)'
+    # Avoid division by zero
+    with np.errstate(divide='ignore', invalid='ignore'):
+        d = 1 / (2 * sin_theta_over_lambda)
+        # Set non-positive inputs to NaN
+        d = np.where(sin_theta_over_lambda > 0, d, np.nan)
+    return d
 
-    with pathlib.Path(file_path).open('r') as f:
-        first_line = f.readline()
 
-    match = re.search(pattern, first_line)
-    if match:
-        return float(match.group(1))
-    else:
-        raise ValueError(f'{key} not found in the header.')
+def str_to_ufloat(s: Optional[str], default: Optional[float] = None) -> UFloat:
+    """
+    Parse a CIF-style numeric string into a ufloat.
 
+    Examples of supported input: - "3.566" → ufloat(3.566, nan) -
+    "3.566(2)" → ufloat(3.566, 0.002) - None → ufloat(default, nan)
 
-def str_to_ufloat(s: Optional[str], default: Optional[float] = None) -> UFloat:
-    """Parse a CIF-style numeric string into a `ufloat` with an optional
-    uncertainty.
-
-    Examples of supported input:
-    - "3.566"       → ufloat(3.566, nan)
-    - "3.566(2)"    → ufloat(3.566, 0.002)
-    - None          → ufloat(default, nan)
-
-    Behavior:
-    - If the input string contains a value with parentheses (e.g.
-      "3.566(2)"), the number in parentheses is interpreted as an
-      estimated standard deviation (esd) in the last digit(s).
-    - If the input string has no parentheses, an uncertainty of NaN is
-      assigned to indicate "no esd provided".
-    - If parsing fails, the function falls back to the given `default`
-      value with uncertainty NaN.
+    Behavior: - If the input string contains a value with parentheses
+    (e.g. "3.566(2)"), the number in parentheses is interpreted as an
+    estimated standard deviation (esd) in the last digit(s). - If the
+    input string has no parentheses, an uncertainty of NaN is assigned
+    to indicate "no esd provided". - If parsing fails, the function
+    falls back to the given ``default`` value with uncertainty NaN.
 
     Parameters
     ----------
-    s : str or None
+    s : Optional[str]
         Numeric string in CIF format (e.g. "3.566", "3.566(2)") or None.
-    default : float or None, optional
-        Default value to use if `s` is None or parsing fails.
-        Defaults to None.
+    default : Optional[float], default=None
+        Default value to use if ``s`` is None or parsing fails.
 
-    Returns:
+    Returns
     -------
     UFloat
-        An `uncertainties.UFloat` object with the parsed value and
+        An ``uncertainties.UFloat`` object with the parsed value and
         uncertainty. The uncertainty will be NaN if not specified or
         parsing failed.
     """
diff --git a/tests/integration/fitting/test_multi.py b/tests/integration/fitting/test_multi.py
new file mode 100644
index 00000000..6b1a0c8f
--- /dev/null
+++ b/tests/integration/fitting/test_multi.py
@@ -0,0 +1,236 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import tempfile
+
+from numpy.testing import assert_almost_equal
+
+import easydiffraction as ed
+from easydiffraction import ExperimentFactory
+from easydiffraction import Project
+from easydiffraction import StructureFactory
+from easydiffraction import download_data
+
+TEMP_DIR = tempfile.gettempdir()
+
+
+def test_single_fit_neutron_pd_tof_mcstas_lbco_si() -> None:
+    # Set structures
+    model_1 = StructureFactory.from_scratch(name='lbco')
+    model_1.space_group.name_h_m = 'P m -3 m'
+    model_1.space_group.it_coordinate_system_code = '1'
+    model_1.cell.length_a = 3.8909
+    model_1.atom_sites.create(
+        label='La',
+        type_symbol='La',
+        fract_x=0,
+        fract_y=0,
+        fract_z=0,
+        wyckoff_letter='a',
+        b_iso=0.2,
+        occupancy=0.5,
+    )
+    model_1.atom_sites.create(
+        label='Ba',
+        type_symbol='Ba',
+        fract_x=0,
+        fract_y=0,
+        fract_z=0,
+        wyckoff_letter='a',
+        b_iso=0.2,
+        occupancy=0.5,
+    )
+    model_1.atom_sites.create(
+        label='Co',
+        type_symbol='Co',
+        fract_x=0.5,
+        fract_y=0.5,
+        fract_z=0.5,
+        wyckoff_letter='b',
+        b_iso=0.2567,
+    )
+    model_1.atom_sites.create(
+        label='O',
+        type_symbol='O',
+        fract_x=0,
+        fract_y=0.5,
+        fract_z=0.5,
+        wyckoff_letter='c',
+        b_iso=1.4041,
+    )
+
+    model_2 = StructureFactory.from_scratch(name='si')
+    model_2.space_group.name_h_m = 'F d -3 m'
+    model_2.space_group.it_coordinate_system_code = '2'
+    model_2.cell.length_a = 5.43146
+    model_2.atom_sites.create(
+        label='Si',
+        type_symbol='Si',
+        fract_x=0.0,
+        fract_y=0.0,
+        fract_z=0.0,
+        wyckoff_letter='a',
+        b_iso=0.0,
+    )
+
+    # Set experiment
+    data_path = download_data(id=8, destination=TEMP_DIR)
+    expt = ExperimentFactory.from_data_path(
+        name='mcstas',
+        data_path=data_path,
+        beam_mode='time-of-flight',
+    )
+    expt.instrument.setup_twotheta_bank = 94.90931761529106
+    expt.instrument.calib_d_to_tof_offset = 0.0
+    expt.instrument.calib_d_to_tof_linear = 58724.76869981215
+    expt.instrument.calib_d_to_tof_quad = -0.00001
+    expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'
+    expt.peak.broad_gauss_sigma_0 = 45137
+    expt.peak.broad_gauss_sigma_1 = -52394
+    expt.peak.broad_gauss_sigma_2 = 22998
+    expt.peak.broad_mix_beta_0 = 0.0055
+    expt.peak.broad_mix_beta_1 = 0.0041
+    expt.peak.asym_alpha_0 = 0.0
+    expt.peak.asym_alpha_1 = 0.0097
+    expt.linked_phases.create(id='lbco', scale=4.0)
+    expt.linked_phases.create(id='si', scale=0.2)
+    for x in range(45000, 115000, 5000):
+        expt.background.create(id=str(x), x=x, y=0.2)
+
+    # Create project
+    project = Project()
+    project.structures.add(model_1)
+    project.structures.add(model_2)
+    project.experiments.add(expt)
+
+    # Exclude regions from fitting
+    project.experiments['mcstas'].excluded_regions.create(start=108000, end=200000)
+
+    # Prepare for fitting
+    project.analysis.current_minimizer = 'lmfit'
+
+    # Select fitting parameters
+    model_1.cell.length_a.free = True
+    model_1.atom_sites['La'].b_iso.free = True
+    model_1.atom_sites['Ba'].b_iso.free = True
+    model_1.atom_sites['Co'].b_iso.free = True
+    model_1.atom_sites['O'].b_iso.free = True
+    model_2.cell.length_a.free = True
+    model_2.atom_sites['Si'].b_iso.free = True
+    expt.linked_phases['lbco'].scale.free = True
+    expt.linked_phases['si'].scale.free = True
+    expt.peak.broad_gauss_sigma_0.free = True
+    expt.peak.broad_gauss_sigma_1.free = True
+    expt.peak.broad_gauss_sigma_2.free = True
+    expt.peak.asym_alpha_1.free = True
+    expt.peak.broad_mix_beta_0.free = True
+    expt.peak.broad_mix_beta_1.free = True
+    for point in expt.background:
+        point.y.free = True
+
+    # Perform fit
+    project.analysis.fit()
+
+    # Compare fit quality
+    assert_almost_equal(
+        project.analysis.fit_results.reduced_chi_square,
+        desired=2.87,
+        decimal=1,
+    )
+
+
+def _test_joint_fit_bragg_pdf_neutron_pd_tof_si() -> None:
+    # Set structure (shared between Bragg and PDF experiments)
+    model = StructureFactory.from_scratch(name='si')
+    model.space_group.name_h_m = 'F d -3 m'
+    model.space_group.it_coordinate_system_code = '2'
+    model.cell.length_a = 5.431
+    model.atom_sites.create(
+        label='Si',
+        type_symbol='Si',
+        fract_x=0.125,
+        fract_y=0.125,
+        fract_z=0.125,
+        b_iso=0.5,
+    )
+
+    # Set Bragg experiment (SEPD, TOF)
+    bragg_data_path = download_data(id=7, destination=TEMP_DIR)
+    bragg_expt = ExperimentFactory.from_data_path(
+        name='sepd',
+        data_path=bragg_data_path,
+        beam_mode='time-of-flight',
+    )
+    bragg_expt.instrument.setup_twotheta_bank = 144.845
+    bragg_expt.instrument.calib_d_to_tof_offset = 0.0
+    bragg_expt.instrument.calib_d_to_tof_linear = 7476.91
+    bragg_expt.instrument.calib_d_to_tof_quad = -1.54
+    bragg_expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'
+    bragg_expt.peak.broad_gauss_sigma_0 = 3.0
+    bragg_expt.peak.broad_gauss_sigma_1 = 40.0
+    bragg_expt.peak.broad_gauss_sigma_2 = 2.0
+    bragg_expt.peak.broad_mix_beta_0 = 0.04221
+    bragg_expt.peak.broad_mix_beta_1 = 0.00946
+    bragg_expt.peak.asym_alpha_0 = 0.0
+    bragg_expt.peak.asym_alpha_1 = 0.5971
+    bragg_expt.linked_phases.create(id='si', scale=10.0)
+    for x in range(0, 35000, 5000):
+        bragg_expt.background.create(id=str(x), x=x, y=200)
+
+    # Set PDF experiment (NOMAD, TOF)
+    pdf_data_path = ed.download_data(id=5, destination=TEMP_DIR)
+    pdf_expt = ExperimentFactory.from_data_path(
+        name='nomad',
+        data_path=pdf_data_path,
+        beam_mode='time-of-flight',
+        scattering_type='total',
+    )
+    pdf_expt.peak.damp_q = 0.02
+    pdf_expt.peak.broad_q = 0.03
+    pdf_expt.peak.cutoff_q = 35.0
+    pdf_expt.peak.sharp_delta_1 = 0.0
+    pdf_expt.peak.sharp_delta_2 = 4.0
+    pdf_expt.peak.damp_particle_diameter = 0
+    pdf_expt.linked_phases.create(id='si', scale=1.0)
+
+    # Create project
+    project = Project()
+    project.structures.add(model)
+    project.experiments.add(bragg_expt)
+    project.experiments.add(pdf_expt)
+
+    # Prepare for fitting
+    project.analysis.fit_mode.mode = 'joint'
+    project.analysis.current_minimizer = 'lmfit'
+
+    # Select fitting parameters — shared structure
+    model.cell.length_a.free = True
+    model.atom_sites['Si'].b_iso.free = True
+
+    # Select fitting parameters — Bragg experiment
+    bragg_expt.linked_phases['si'].scale.free = True
+    bragg_expt.instrument.calib_d_to_tof_offset.free = True
+    for point in bragg_expt.background:
+        point.y.free = True
+
+    # Select fitting parameters — PDF experiment
+    pdf_expt.linked_phases['si'].scale.free = True
+    pdf_expt.peak.damp_q.free = True
+    pdf_expt.peak.broad_q.free = True
+    pdf_expt.peak.sharp_delta_1.free = True
+    pdf_expt.peak.sharp_delta_2.free = True
+
+    # Perform fit
+    project.analysis.fit()
+
+    # Compare fit quality
+    assert_almost_equal(
+        project.analysis.fit_results.reduced_chi_square,
+        desired=8978.39,
+        decimal=-2,
+    )
+
+
+if __name__ == '__main__':
+    test_single_fit_neutron_pd_tof_mcstas_lbco_si()
+    # test_joint_fit_bragg_pdf_neutron_pd_tof_si()
diff --git a/tests/integration/fitting/test_pair-distribution-function.py b/tests/integration/fitting/test_pair-distribution-function.py
index 6af36e52..066e727e 100644
--- a/tests/integration/fitting/test_pair-distribution-function.py
+++ b/tests/integration/fitting/test_pair-distribution-function.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import tempfile
@@ -14,13 +14,13 @@
 def test_single_fit_pdf_xray_pd_cw_nacl() -> None:
     project = ed.Project()
 
-    # Set sample model
-    project.sample_models.add(name='nacl')
-    sample_model = project.sample_models['nacl']
-    sample_model.space_group.name_h_m = 'F m -3 m'
-    sample_model.space_group.it_coordinate_system_code = '1'
-    sample_model.cell.length_a = 5.6018
-    sample_model.atom_sites.add(
+    # Set structure
+    project.structures.create(name='nacl')
+    structure = project.structures['nacl']
+    structure.space_group.name_h_m = 'F m -3 m'
+    structure.space_group.it_coordinate_system_code = '1'
+    structure.cell.length_a = 5.6018
+    structure.atom_sites.create(
         label='Na',
         type_symbol='Na',
         fract_x=0,
@@ -29,7 +29,7 @@ def test_single_fit_pdf_xray_pd_cw_nacl() -> None:
         wyckoff_letter='a',
         b_iso=1.1053,
     )
-    sample_model.atom_sites.add(
+    structure.atom_sites.create(
         label='Cl',
         type_symbol='Cl',
         fract_x=0.5,
@@ -41,7 +41,7 @@ def test_single_fit_pdf_xray_pd_cw_nacl() -> None:
 
     # Set experiment
     data_path = ed.download_data(id=4, destination=TEMP_DIR)
-    project.experiments.add(
+    project.experiments.add_from_data_path(
         name='xray_pdf',
         data_path=data_path,
         sample_form='powder',
@@ -57,18 +57,17 @@ def test_single_fit_pdf_xray_pd_cw_nacl() -> None:
     experiment.peak.sharp_delta_1 = 0
     experiment.peak.sharp_delta_2 = 3.5041
     experiment.peak.damp_particle_diameter = 0
-    experiment.linked_phases.add(id='nacl', scale=0.4254)
+    experiment.linked_phases.create(id='nacl', scale=0.4254)
 
     # Select fitting parameters
-    sample_model.cell.length_a.free = True
-    sample_model.atom_sites['Na'].b_iso.free = True
-    sample_model.atom_sites['Cl'].b_iso.free = True
+    structure.cell.length_a.free = True
+    structure.atom_sites['Na'].b_iso.free = True
+    structure.atom_sites['Cl'].b_iso.free = True
     experiment.linked_phases['nacl'].scale.free = True
     experiment.peak.damp_q.free = True
     experiment.peak.sharp_delta_2.free = True
 
     # Perform fit
-    project.analysis.current_calculator = 'pdffit'
     project.analysis.fit()
 
     # Compare fit quality
@@ -80,13 +79,13 @@ def test_single_fit_pdf_xray_pd_cw_nacl() -> None:
 def test_single_fit_pdf_neutron_pd_cw_ni():
     project = ed.Project()
 
-    # Set sample model
-    project.sample_models.add(name='ni')
-    sample_model = project.sample_models['ni']
-    sample_model.space_group.name_h_m.value = 'F m -3 m'
-    sample_model.space_group.it_coordinate_system_code = '1'
-    sample_model.cell.length_a = 3.526
-    sample_model.atom_sites.add(
+    # Set structure
+    project.structures.create(name='ni')
+    structure = project.structures['ni']
+    structure.space_group.name_h_m.value = 'F m -3 m'
+    structure.space_group.it_coordinate_system_code = '1'
+    structure.cell.length_a = 3.526
+    structure.atom_sites.create(
         label='Ni',
         type_symbol='Ni',
         fract_x=0,
@@ -98,7 +97,7 @@ def test_single_fit_pdf_neutron_pd_cw_ni():
 
     # Set experiment
     data_path = ed.download_data(id=6, destination=TEMP_DIR)
-    project.experiments.add(
+    project.experiments.add_from_data_path(
         name='pdf',
         data_path=data_path,
         sample_form='powder',
@@ -113,17 +112,16 @@ def test_single_fit_pdf_neutron_pd_cw_ni():
     experiment.peak.sharp_delta_1 = 0
     experiment.peak.sharp_delta_2 = 2.5587
     experiment.peak.damp_particle_diameter = 0
-    experiment.linked_phases.add(id='ni', scale=0.9892)
+    experiment.linked_phases.create(id='ni', scale=0.9892)
 
     # Select fitting parameters
-    sample_model.cell.length_a.free = True
-    sample_model.atom_sites['Ni'].b_iso.free = True
+    structure.cell.length_a.free = True
+    structure.atom_sites['Ni'].b_iso.free = True
     experiment.linked_phases['ni'].scale.free = True
     experiment.peak.broad_q.free = True
     experiment.peak.sharp_delta_2.free = True
 
     # Perform fit
-    project.analysis.current_calculator = 'pdffit'
     project.analysis.fit()
 
     # Compare fit quality
@@ -134,13 +132,13 @@ def test_single_fit_pdf_neutron_pd_cw_ni():
 def test_single_fit_pdf_neutron_pd_tof_si():
     project = ed.Project()
 
-    # Set sample model
-    project.sample_models.add(name='si')
-    sample_model = project.sample_models['si']
-    sample_model.space_group.name_h_m.value = 'F d -3 m'
-    sample_model.space_group.it_coordinate_system_code = '1'
-    sample_model.cell.length_a = 5.4306
-    sample_model.atom_sites.add(
+    # Set structure
+    project.structures.create(name='si')
+    structure = project.structures['si']
+    structure.space_group.name_h_m.value = 'F d -3 m'
+    structure.space_group.it_coordinate_system_code = '1'
+    structure.cell.length_a = 5.4306
+    structure.atom_sites.create(
         label='Si',
         type_symbol='Si',
         fract_x=0,
@@ -152,7 +150,7 @@ def test_single_fit_pdf_neutron_pd_tof_si():
 
     # Set experiment
     data_path = ed.download_data(id=5, destination=TEMP_DIR)
-    project.experiments.add(
+    project.experiments.add_from_data_path(
         name='nomad',
         data_path=data_path,
         sample_form='powder',
@@ -167,11 +165,11 @@ def test_single_fit_pdf_neutron_pd_tof_si():
     experiment.peak.sharp_delta_1 = 2.54
     experiment.peak.sharp_delta_2 = -1.7525
     experiment.peak.damp_particle_diameter = 0
-    experiment.linked_phases.add(id='si', scale=1.2728)
+    experiment.linked_phases.create(id='si', scale=1.2728)
 
     # Select fitting parameters
-    project.sample_models['si'].cell.length_a.free = True
-    project.sample_models['si'].atom_sites['Si'].b_iso.free = True
+    project.structures['si'].cell.length_a.free = True
+    project.structures['si'].atom_sites['Si'].b_iso.free = True
     experiment.linked_phases['si'].scale.free = True
     experiment.peak.damp_q.free = True
     experiment.peak.broad_q.free = True
@@ -179,7 +177,6 @@ def test_single_fit_pdf_neutron_pd_tof_si():
     experiment.peak.sharp_delta_2.free = True
 
     # Perform fit
-    project.analysis.current_calculator = 'pdffit'
     project.analysis.fit()
 
     # Compare fit quality
diff --git a/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py b/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py
index bba3b2d2..7a98c15d 100644
--- a/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py
+++ b/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import tempfile
@@ -8,18 +8,18 @@
 
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 TEMP_DIR = tempfile.gettempdir()
 
 
 def test_single_fit_neutron_pd_cwl_lbco() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='lbco')
+    # Set structure
+    model = StructureFactory.from_scratch(name='lbco')
     model.space_group.name_h_m = 'P m -3 m'
     model.cell.length_a = 3.88
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='La',
         type_symbol='La',
         fract_x=0,
@@ -29,7 +29,7 @@ def test_single_fit_neutron_pd_cwl_lbco() -> None:
         occupancy=0.5,
         b_iso=0.1,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Ba',
         type_symbol='Ba',
         fract_x=0,
@@ -39,7 +39,7 @@ def test_single_fit_neutron_pd_cwl_lbco() -> None:
         occupancy=0.5,
         b_iso=0.1,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Co',
         type_symbol='Co',
         fract_x=0.5,
@@ -48,7 +48,7 @@ def test_single_fit_neutron_pd_cwl_lbco() -> None:
         wyckoff_letter='b',
         b_iso=0.1,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O',
         type_symbol='O',
         fract_x=0,
@@ -61,7 +61,7 @@ def test_single_fit_neutron_pd_cwl_lbco() -> None:
     # Set experiment
     data_path = download_data(id=3, destination=TEMP_DIR)
 
-    expt = ExperimentFactory.create(
+    expt = ExperimentFactory.from_data_path(
         name='hrpt',
         data_path=data_path,
     )
@@ -75,19 +75,18 @@ def test_single_fit_neutron_pd_cwl_lbco() -> None:
     expt.peak.broad_lorentz_x = 0
     expt.peak.broad_lorentz_y = 0
 
-    expt.linked_phases.add(id='lbco', scale=5.0)
+    expt.linked_phases.create(id='lbco', scale=5.0)
 
-    expt.background.add(id='1', x=10, y=170)
-    expt.background.add(id='2', x=165, y=170)
+    expt.background.create(id='1', x=10, y=170)
+    expt.background.create(id='2', x=165, y=170)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt)
+    project.structures.add(model)
+    project.experiments.add(expt)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
+    project.analysis.current_minimizer = 'lmfit'
 
     # ------------ 1st fitting ------------
 
@@ -147,8 +146,8 @@ def test_single_fit_neutron_pd_cwl_lbco() -> None:
 
 @pytest.mark.fast
 def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='lbco')
+    # Set structure
+    model = StructureFactory.from_scratch(name='lbco')
 
     space_group = model.space_group
     space_group.name_h_m = 'P m -3 m'
@@ -157,7 +156,7 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
     cell.length_a = 3.8909
 
     atom_sites = model.atom_sites
-    atom_sites.add(
+    atom_sites.create(
         label='La',
         type_symbol='La',
         fract_x=0,
@@ -167,7 +166,7 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
         b_iso=1.0,
         occupancy=0.5,
     )
-    atom_sites.add(
+    atom_sites.create(
         label='Ba',
         type_symbol='Ba',
         fract_x=0,
@@ -177,7 +176,7 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
         b_iso=1.0,
         occupancy=0.5,
     )
-    atom_sites.add(
+    atom_sites.create(
         label='Co',
         type_symbol='Co',
         fract_x=0.5,
@@ -186,7 +185,7 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
         wyckoff_letter='b',
         b_iso=1.0,
     )
-    atom_sites.add(
+    atom_sites.create(
         label='O',
         type_symbol='O',
         fract_x=0,
@@ -199,7 +198,7 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
     # Set experiment
     data_path = download_data(id=3, destination=TEMP_DIR)
 
-    expt = ExperimentFactory.create(
+    expt = ExperimentFactory.from_data_path(
         name='hrpt',
         data_path=data_path,
     )
@@ -216,27 +215,26 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
     peak.broad_lorentz_y = 0.0797
 
     background = expt.background
-    background.add(id='10', x=10, y=174.3)
-    background.add(id='20',x=20, y=159.8)
-    background.add(id='30',x=30, y=167.9)
-    background.add(id='50',x=50, y=166.1)
-    background.add(id='70',x=70, y=172.3)
-    background.add(id='90',x=90, y=171.1)
-    background.add(id='110',x=110, y=172.4)
-    background.add(id='130',x=130, y=182.5)
-    background.add(id='150',x=150, y=173.0)
-    background.add(id='165',x=165, y=171.1)
-
-    expt.linked_phases.add(id='lbco', scale=9.0976)
+    background.create(id='10', x=10, y=174.3)
+    background.create(id='20', x=20, y=159.8)
+    background.create(id='30', x=30, y=167.9)
+    background.create(id='50', x=50, y=166.1)
+    background.create(id='70', x=70, y=172.3)
+    background.create(id='90', x=90, y=171.1)
+    background.create(id='110', x=110, y=172.4)
+    background.create(id='130', x=130, y=182.5)
+    background.create(id='150', x=150, y=173.0)
+    background.create(id='165', x=165, y=171.1)
+
+    expt.linked_phases.create(id='lbco', scale=9.0976)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt)
+    project.structures.add(model)
+    project.experiments.add(expt)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
+    project.analysis.current_minimizer = 'lmfit'
 
     # ------------ 1st fitting ------------
 
@@ -277,18 +275,26 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
     # ------------ 2nd fitting ------------
 
     # Set aliases for parameters
-    project.analysis.aliases.add(label='biso_La', param_uid=atom_sites['La'].b_iso.uid)
-    project.analysis.aliases.add(label='biso_Ba', param_uid=atom_sites['Ba'].b_iso.uid)
-    project.analysis.aliases.add(
-        label='occ_La', param_uid=atom_sites['La'].occupancy.uid
+    project.analysis.aliases.create(
+        label='biso_La',
+        param_uid=atom_sites['La'].b_iso.uid,
     )
-    project.analysis.aliases.add(
-        label='occ_Ba', param_uid=atom_sites['Ba'].occupancy.uid
+    project.analysis.aliases.create(
+        label='biso_Ba',
+        param_uid=atom_sites['Ba'].b_iso.uid,
+    )
+    project.analysis.aliases.create(
+        label='occ_La',
+        param_uid=atom_sites['La'].occupancy.uid,
+    )
+    project.analysis.aliases.create(
+        label='occ_Ba',
+        param_uid=atom_sites['Ba'].occupancy.uid,
     )
 
     # Set constraints
-    project.analysis.constraints.add(lhs_alias='biso_Ba', rhs_expr='biso_La')
-    project.analysis.constraints.add(lhs_alias='occ_Ba', rhs_expr='1 - occ_La')
+    project.analysis.constraints.create(expression='biso_Ba = biso_La')
+    project.analysis.constraints.create(expression='occ_Ba = 1 - occ_La')
 
     # Apply constraints
     project.analysis.apply_constraints()
@@ -313,13 +319,13 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
 
 
 def test_fit_neutron_pd_cwl_hs() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='hs')
+    # Set structure
+    model = StructureFactory.from_scratch(name='hs')
     model.space_group.name_h_m = 'R -3 m'
     model.space_group.it_coordinate_system_code = 'h'
     model.cell.length_a = 6.8615
     model.cell.length_c = 14.136
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Zn',
         type_symbol='Zn',
         fract_x=0,
@@ -328,7 +334,7 @@ def test_fit_neutron_pd_cwl_hs() -> None:
         wyckoff_letter='b',
         b_iso=0.1,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Cu',
         type_symbol='Cu',
         fract_x=0.5,
@@ -337,7 +343,7 @@ def test_fit_neutron_pd_cwl_hs() -> None:
         wyckoff_letter='e',
         b_iso=1.2,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O',
         type_symbol='O',
         fract_x=0.206,
@@ -346,7 +352,7 @@ def test_fit_neutron_pd_cwl_hs() -> None:
         wyckoff_letter='h',
         b_iso=0.7,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Cl',
         type_symbol='Cl',
         fract_x=0,
@@ -355,7 +361,7 @@ def test_fit_neutron_pd_cwl_hs() -> None:
         wyckoff_letter='c',
         b_iso=1.1,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='H',
         type_symbol='2H',
         fract_x=0.132,
@@ -368,7 +374,7 @@ def test_fit_neutron_pd_cwl_hs() -> None:
     # Set experiment
     data_path = download_data(id=11, destination=TEMP_DIR)
 
-    expt = ExperimentFactory.create(name='hrpt', data_path=data_path)
+    expt = ExperimentFactory.from_data_path(name='hrpt', data_path=data_path)
 
     expt.instrument.setup_wavelength = 1.89
     expt.instrument.calib_twotheta_offset = 0.0
@@ -379,26 +385,25 @@ def test_fit_neutron_pd_cwl_hs() -> None:
     expt.peak.broad_lorentz_x = 0.2927
     expt.peak.broad_lorentz_y = 0
 
-    expt.background.add(id='1', x=4.4196, y=648.413)
-    expt.background.add(id='2', x=6.6207, y=523.788)
-    expt.background.add(id='3', x=10.4918, y=454.938)
-    expt.background.add(id='4', x=15.4634, y=435.913)
-    expt.background.add(id='5', x=45.6041, y=472.972)
-    expt.background.add(id='6', x=74.6844, y=486.606)
-    expt.background.add(id='7', x=103.4187, y=472.409)
-    expt.background.add(id='8', x=121.6311, y=496.734)
-    expt.background.add(id='9', x=159.4116, y=473.146)
+    expt.background.create(id='1', x=4.4196, y=648.413)
+    expt.background.create(id='2', x=6.6207, y=523.788)
+    expt.background.create(id='3', x=10.4918, y=454.938)
+    expt.background.create(id='4', x=15.4634, y=435.913)
+    expt.background.create(id='5', x=45.6041, y=472.972)
+    expt.background.create(id='6', x=74.6844, y=486.606)
+    expt.background.create(id='7', x=103.4187, y=472.409)
+    expt.background.create(id='8', x=121.6311, y=496.734)
+    expt.background.create(id='9', x=159.4116, y=473.146)
 
-    expt.linked_phases.add(id='hs', scale=0.492)
+    expt.linked_phases.create(id='hs', scale=0.492)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt)
+    project.structures.add(model)
+    project.experiments.add(expt)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
+    project.analysis.current_minimizer = 'lmfit'
 
     # ------------ 1st fitting ------------
 
diff --git a/tests/integration/fitting/test_powder-diffraction_joint-fit.py b/tests/integration/fitting/test_powder-diffraction_joint-fit.py
index 904b2e1c..fb94a8ff 100644
--- a/tests/integration/fitting/test_powder-diffraction_joint-fit.py
+++ b/tests/integration/fitting/test_powder-diffraction_joint-fit.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import tempfile
@@ -8,7 +8,7 @@
 
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 TEMP_DIR = tempfile.gettempdir()
@@ -16,13 +16,13 @@
 
 @pytest.mark.fast
 def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='pbso4')
+    # Set structure
+    model = StructureFactory.from_scratch(name='pbso4')
     model.space_group.name_h_m = 'P n m a'
     model.cell.length_a = 8.47
     model.cell.length_b = 5.39
     model.cell.length_c = 6.95
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Pb',
         type_symbol='Pb',
         fract_x=0.1876,
@@ -31,7 +31,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=1.37,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='S',
         type_symbol='S',
         fract_x=0.0654,
@@ -40,7 +40,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=0.3777,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O1',
         type_symbol='O',
         fract_x=0.9082,
@@ -49,7 +49,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=1.9764,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O2',
         type_symbol='O',
         fract_x=0.1935,
@@ -58,7 +58,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=1.4456,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O3',
         type_symbol='O',
         fract_x=0.0811,
@@ -70,7 +70,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
 
     # Set experiments
     data_path = download_data(id=14, destination=TEMP_DIR)
-    expt1 = ExperimentFactory.create(name='npd1', data_path=data_path)
+    expt1 = ExperimentFactory.from_data_path(name='npd1', data_path=data_path)
     expt1.instrument.setup_wavelength = 1.91
     expt1.instrument.calib_twotheta_offset = -0.1406
     expt1.peak.broad_gauss_u = 0.139
@@ -78,7 +78,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
     expt1.peak.broad_gauss_w = 0.386
     expt1.peak.broad_lorentz_x = 0
     expt1.peak.broad_lorentz_y = 0.0878
-    expt1.linked_phases.add(id='pbso4', scale=1.46)
+    expt1.linked_phases.create(id='pbso4', scale=1.46)
     expt1.background_type = 'line-segment'
     for id, x, y in [
         ('1', 11.0, 206.1624),
@@ -90,10 +90,10 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
         ('7', 120.0, 244.4525),
         ('8', 153.0, 226.0595),
     ]:
-        expt1.background.add(id=id, x=x, y=y)
+        expt1.background.create(id=id, x=x, y=y)
 
     data_path = download_data(id=15, destination=TEMP_DIR)
-    expt2 = ExperimentFactory.create(name='npd2', data_path=data_path)
+    expt2 = ExperimentFactory.from_data_path(name='npd2', data_path=data_path)
     expt2.instrument.setup_wavelength = 1.91
     expt2.instrument.calib_twotheta_offset = -0.1406
     expt2.peak.broad_gauss_u = 0.139
@@ -101,7 +101,7 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
     expt2.peak.broad_gauss_w = 0.386
     expt2.peak.broad_lorentz_x = 0
     expt2.peak.broad_lorentz_y = 0.0878
-    expt2.linked_phases.add(id='pbso4', scale=1.46)
+    expt2.linked_phases.create(id='pbso4', scale=1.46)
     expt2.background_type = 'line-segment'
     for id, x, y in [
         ('1', 11.0, 206.1624),
@@ -113,18 +113,17 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
         ('7', 120.0, 244.4525),
         ('8', 153.0, 226.0595),
     ]:
-        expt2.background.add(id=id, x=x, y=y)
+        expt2.background.create(id=id, x=x, y=y)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt1)
-    project.experiments.add(experiment=expt2)
+    project.structures.add(model)
+    project.experiments.add(expt1)
+    project.experiments.add(expt2)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
-    project.analysis.fit_mode = 'joint'
+    project.analysis.current_minimizer = 'lmfit'
+    project.analysis.fit_mode.mode = 'joint'
 
     # Select fitting parameters
     model.cell.length_a.free = True
@@ -144,13 +143,13 @@ def test_joint_fit_split_dataset_neutron_pd_cwl_pbso4() -> None:
 
 @pytest.mark.fast
 def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='pbso4')
+    # Set structure
+    model = StructureFactory.from_scratch(name='pbso4')
     model.space_group.name_h_m = 'P n m a'
     model.cell.length_a = 8.47
     model.cell.length_b = 5.39
     model.cell.length_c = 6.95
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Pb',
         type_symbol='Pb',
         fract_x=0.1876,
@@ -159,7 +158,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=1.37,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='S',
         type_symbol='S',
         fract_x=0.0654,
@@ -168,7 +167,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=0.3777,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O1',
         type_symbol='O',
         fract_x=0.9082,
@@ -177,7 +176,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=1.9764,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O2',
         type_symbol='O',
         fract_x=0.1935,
@@ -186,7 +185,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
         wyckoff_letter='c',
         b_iso=1.4456,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='O3',
         type_symbol='O',
         fract_x=0.0811,
@@ -198,7 +197,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
 
     # Set experiments
     data_path = download_data(id=13, destination=TEMP_DIR)
-    expt1 = ExperimentFactory.create(
+    expt1 = ExperimentFactory.from_data_path(
         name='npd',
         data_path=data_path,
         radiation_probe='neutron',
@@ -210,7 +209,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
     expt1.peak.broad_gauss_w = 0.386
     expt1.peak.broad_lorentz_x = 0
     expt1.peak.broad_lorentz_y = 0.088
-    expt1.linked_phases.add(id='pbso4', scale=1.5)
+    expt1.linked_phases.create(id='pbso4', scale=1.5)
     for id, x, y in [
         ('1', 11.0, 206.1624),
         ('2', 15.0, 194.75),
@@ -221,10 +220,10 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
         ('7', 120.0, 244.4525),
         ('8', 153.0, 226.0595),
     ]:
-        expt1.background.add(id=id, x=x, y=y)
+        expt1.background.create(id=id, x=x, y=y)
 
     data_path = download_data(id=16, destination=TEMP_DIR)
-    expt2 = ExperimentFactory.create(
+    expt2 = ExperimentFactory.from_data_path(
         name='xrd',
         data_path=data_path,
         radiation_probe='xray',
@@ -236,7 +235,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
     expt2.peak.broad_gauss_w = 0.021272
     expt2.peak.broad_lorentz_x = 0
     expt2.peak.broad_lorentz_y = 0.057691
-    expt2.linked_phases.add(id='pbso4', scale=0.001)
+    expt2.linked_phases.create(id='pbso4', scale=0.001)
     for id, x, y in [
         ('1', 11.0, 141.8516),
         ('2', 13.0, 102.8838),
@@ -247,17 +246,16 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
         ('7', 90.0, 113.7473),
         ('8', 110.0, 132.4643),
     ]:
-        expt2.background.add(id=id, x=x, y=y)
+        expt2.background.create(id=id, x=x, y=y)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt1)
-    project.experiments.add(experiment=expt2)
+    project.structures.add(model)
+    project.experiments.add(expt1)
+    project.experiments.add(expt2)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
+    project.analysis.current_minimizer = 'lmfit'
 
     # Select fitting parameters
     model.cell.length_a.free = True
@@ -269,7 +267,6 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
     # ------------ 1st fitting ------------
 
     # Perform fit
-    project.analysis.fit_mode = 'single'  # Default
     project.analysis.fit()
 
     # Compare fit quality
@@ -282,7 +279,7 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
     # ------------ 2nd fitting ------------
 
     # Perform fit
-    project.analysis.fit_mode = 'joint'
+    project.analysis.fit_mode.mode = 'joint'
     project.analysis.fit()
 
     # Compare fit quality
@@ -297,7 +294,6 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
     # Perform fit
     project.analysis.joint_fit_experiments['xrd'].weight = 0.5  # Default
     project.analysis.joint_fit_experiments['npd'].weight = 0.5  # Default
-    project.analysis.fit_mode = 'joint'
     project.analysis.fit()
 
     # Compare fit quality
@@ -312,7 +308,6 @@ def test_joint_fit_neutron_xray_pd_cwl_pbso4() -> None:
     # Perform fit
     project.analysis.joint_fit_experiments['xrd'].weight = 0.3
     project.analysis.joint_fit_experiments['npd'].weight = 0.7
-    project.analysis.fit_mode = 'joint'
     project.analysis.fit()
 
     # Compare fit quality
diff --git a/tests/integration/fitting/test_powder-diffraction_multiphase.py b/tests/integration/fitting/test_powder-diffraction_multiphase.py
deleted file mode 100644
index 2880eb2b..00000000
--- a/tests/integration/fitting/test_powder-diffraction_multiphase.py
+++ /dev/null
@@ -1,143 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import tempfile
-
-from numpy.testing import assert_almost_equal
-
-from easydiffraction import ExperimentFactory
-from easydiffraction import Project
-from easydiffraction import SampleModelFactory
-from easydiffraction import download_data
-
-TEMP_DIR = tempfile.gettempdir()
-
-
-def test_single_fit_neutron_pd_tof_mcstas_lbco_si() -> None:
-    # Set sample models
-    model_1 = SampleModelFactory.create(name='lbco')
-    model_1.space_group.name_h_m = 'P m -3 m'
-    model_1.space_group.it_coordinate_system_code = '1'
-    model_1.cell.length_a = 3.8909
-    model_1.atom_sites.add(
-        label='La',
-        type_symbol='La',
-        fract_x=0,
-        fract_y=0,
-        fract_z=0,
-        wyckoff_letter='a',
-        b_iso=0.2,
-        occupancy=0.5,
-    )
-    model_1.atom_sites.add(
-        label='Ba',
-        type_symbol='Ba',
-        fract_x=0,
-        fract_y=0,
-        fract_z=0,
-        wyckoff_letter='a',
-        b_iso=0.2,
-        occupancy=0.5,
-    )
-    model_1.atom_sites.add(
-        label='Co',
-        type_symbol='Co',
-        fract_x=0.5,
-        fract_y=0.5,
-        fract_z=0.5,
-        wyckoff_letter='b',
-        b_iso=0.2567,
-    )
-    model_1.atom_sites.add(
-        label='O',
-        type_symbol='O',
-        fract_x=0,
-        fract_y=0.5,
-        fract_z=0.5,
-        wyckoff_letter='c',
-        b_iso=1.4041,
-    )
-
-    model_2 = SampleModelFactory.create(name='si')
-    model_2.space_group.name_h_m = 'F d -3 m'
-    model_2.space_group.it_coordinate_system_code = '2'
-    model_2.cell.length_a = 5.43146
-    model_2.atom_sites.add(
-        label='Si',
-        type_symbol='Si',
-        fract_x=0.0,
-        fract_y=0.0,
-        fract_z=0.0,
-        wyckoff_letter='a',
-        b_iso=0.0,
-    )
-
-    # Set experiment
-    data_path = download_data(id=8, destination=TEMP_DIR)
-    expt = ExperimentFactory.create(
-        name='mcstas',
-        data_path=data_path,
-        beam_mode='time-of-flight',
-    )
-    expt.instrument.setup_twotheta_bank = 94.90931761529106
-    expt.instrument.calib_d_to_tof_offset = 0.0
-    expt.instrument.calib_d_to_tof_linear = 58724.76869981215
-    expt.instrument.calib_d_to_tof_quad = -0.00001
-    expt.peak_profile_type = 'pseudo-voigt * ikeda-carpenter'
-    expt.peak.broad_gauss_sigma_0 = 45137
-    expt.peak.broad_gauss_sigma_1 = -52394
-    expt.peak.broad_gauss_sigma_2 = 22998
-    expt.peak.broad_mix_beta_0 = 0.0055
-    expt.peak.broad_mix_beta_1 = 0.0041
-    expt.peak.asym_alpha_0 = 0.0
-    expt.peak.asym_alpha_1 = 0.0097
-    expt.linked_phases.add(id='lbco', scale=4.0)
-    expt.linked_phases.add(id='si', scale=0.2)
-    for x in range(45000, 115000, 5000):
-        expt.background.add(id=str(x), x=x, y=0.2)
-
-    # Create project
-    project = Project()
-    project.sample_models.add(sample_model=model_1)
-    project.sample_models.add(sample_model=model_2)
-    project.experiments.add(experiment=expt)
-
-    # Exclude regions from fitting
-    project.experiments['mcstas'].excluded_regions.add(start=108000, end=200000)
-
-    # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
-
-    # Select fitting parameters
-    model_1.cell.length_a.free = True
-    model_1.atom_sites['La'].b_iso.free = True
-    model_1.atom_sites['Ba'].b_iso.free = True
-    model_1.atom_sites['Co'].b_iso.free = True
-    model_1.atom_sites['O'].b_iso.free = True
-    model_2.cell.length_a.free = True
-    model_2.atom_sites['Si'].b_iso.free = True
-    expt.linked_phases['lbco'].scale.free = True
-    expt.linked_phases['si'].scale.free = True
-    expt.peak.broad_gauss_sigma_0.free = True
-    expt.peak.broad_gauss_sigma_1.free = True
-    expt.peak.broad_gauss_sigma_2.free = True
-    expt.peak.asym_alpha_1.free = True
-    expt.peak.broad_mix_beta_0.free = True
-    expt.peak.broad_mix_beta_1.free = True
-    for point in expt.background:
-        point.y.free = True
-
-    # Perform fit
-    project.analysis.fit()
-
-    # Compare fit quality
-    assert_almost_equal(
-        project.analysis.fit_results.reduced_chi_square,
-        desired=2.87,
-        decimal=1,
-    )
-
-
-if __name__ == '__main__':
-    test_single_fit_neutron_pd_tof_mcstas_lbco_si()
diff --git a/tests/integration/fitting/test_powder-diffraction_time-of-flight.py b/tests/integration/fitting/test_powder-diffraction_time-of-flight.py
index 129fb7ff..18123254 100644
--- a/tests/integration/fitting/test_powder-diffraction_time-of-flight.py
+++ b/tests/integration/fitting/test_powder-diffraction_time-of-flight.py
@@ -1,26 +1,25 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-import os
 import tempfile
 
 from numpy.testing import assert_almost_equal
 
 from easydiffraction import ExperimentFactory
 from easydiffraction import Project
-from easydiffraction import SampleModelFactory
+from easydiffraction import StructureFactory
 from easydiffraction import download_data
 
 TEMP_DIR = tempfile.gettempdir()
 
 
 def test_single_fit_neutron_pd_tof_si() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='si')
+    # Set structure
+    model = StructureFactory.from_scratch(name='si')
     model.space_group.name_h_m = 'F d -3 m'
     model.space_group.it_coordinate_system_code = '2'
     model.cell.length_a = 5.4315
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Si',
         type_symbol='Si',
         fract_x=0.125,
@@ -32,7 +31,7 @@ def test_single_fit_neutron_pd_tof_si() -> None:
 
     # Set experiment
     data_path = download_data(id=7, destination=TEMP_DIR)
-    expt = ExperimentFactory.create(
+    expt = ExperimentFactory.from_data_path(
         name='sepd',
         data_path=data_path,
         beam_mode='time-of-flight',
@@ -49,18 +48,17 @@ def test_single_fit_neutron_pd_tof_si() -> None:
     expt.peak.broad_mix_beta_1 = 0.00946
     expt.peak.asym_alpha_0 = 0.0
     expt.peak.asym_alpha_1 = 0.5971
-    expt.linked_phases.add(id='si', scale=14.92)
+    expt.linked_phases.create(id='si', scale=14.92)
     for x in range(0, 35000, 5000):
-        expt.background.add(id=str(x), x=x, y=200)
+        expt.background.create(id=str(x), x=x, y=200)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt)
+    project.structures.add(model)
+    project.experiments.add(expt)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
+    project.analysis.current_minimizer = 'lmfit'
 
     # Select fitting parameters
     model.cell.length_a.free = True
@@ -82,12 +80,12 @@ def test_single_fit_neutron_pd_tof_si() -> None:
 
 
 def test_single_fit_neutron_pd_tof_ncaf() -> None:
-    # Set sample model
-    model = SampleModelFactory.create(name='ncaf')
+    # Set structure
+    model = StructureFactory.from_scratch(name='ncaf')
     model.space_group.name_h_m = 'I 21 3'
     model.space_group.it_coordinate_system_code = '1'
     model.cell.length_a = 10.250256
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Ca',
         type_symbol='Ca',
         fract_x=0.4661,
@@ -96,7 +94,7 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
         wyckoff_letter='b',
         b_iso=0.9,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Al',
         type_symbol='Al',
         fract_x=0.25171,
@@ -105,7 +103,7 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
         wyckoff_letter='a',
         b_iso=0.66,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='Na',
         type_symbol='Na',
         fract_x=0.08481,
@@ -114,7 +112,7 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
         wyckoff_letter='a',
         b_iso=1.9,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='F1',
         type_symbol='F',
         fract_x=0.1375,
@@ -123,7 +121,7 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
         wyckoff_letter='c',
         b_iso=0.9,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='F2',
         type_symbol='F',
         fract_x=0.3626,
@@ -132,7 +130,7 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
         wyckoff_letter='c',
         b_iso=1.28,
     )
-    model.atom_sites.add(
+    model.atom_sites.create(
         label='F3',
         type_symbol='F',
         fract_x=0.4612,
@@ -144,13 +142,13 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
 
     # Set experiment
     data_path = download_data(id=9, destination=TEMP_DIR)
-    expt = ExperimentFactory.create(
+    expt = ExperimentFactory.from_data_path(
         name='wish',
         data_path=data_path,
         beam_mode='time-of-flight',
     )
-    expt.excluded_regions.add(id='1', start=0, end=9000)
-    expt.excluded_regions.add(id='2', start=100010, end=200000)
+    expt.excluded_regions.create(id='1', start=0, end=9000)
+    expt.excluded_regions.create(id='2', start=100010, end=200000)
     expt.instrument.setup_twotheta_bank = 152.827
     expt.instrument.calib_d_to_tof_offset = -13.7123
     expt.instrument.calib_d_to_tof_linear = 20773.1
@@ -163,7 +161,7 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
     expt.peak.broad_mix_beta_1 = 0.0099
     expt.peak.asym_alpha_0 = -0.009
     expt.peak.asym_alpha_1 = 0.1085
-    expt.linked_phases.add(id='ncaf', scale=1.0928)
+    expt.linked_phases.create(id='ncaf', scale=1.0928)
     for x, y in [
         (9162, 465),
         (11136, 593),
@@ -194,16 +192,15 @@ def test_single_fit_neutron_pd_tof_ncaf() -> None:
         (91958, 268),
         (102712, 262),
     ]:
-        expt.background.add(id=str(x), x=x, y=y)
+        expt.background.create(id=str(x), x=x, y=y)
 
     # Create project
     project = Project()
-    project.sample_models.add(sample_model=model)
-    project.experiments.add(experiment=expt)
+    project.structures.add(model)
+    project.experiments.add(expt)
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
-    project.analysis.current_minimizer = 'lmfit (leastsq)'
+    project.analysis.current_minimizer = 'lmfit'
 
     # Select fitting parameters
     expt.linked_phases['ncaf'].scale.free = True
diff --git a/tests/integration/fitting/test_single-crystal-diffraction.py b/tests/integration/fitting/test_single-crystal-diffraction.py
new file mode 100644
index 00000000..f5273fdd
--- /dev/null
+++ b/tests/integration/fitting/test_single-crystal-diffraction.py
@@ -0,0 +1,90 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import tempfile
+
+import pytest
+
+import easydiffraction as ed
+
+TEMP_DIR = tempfile.gettempdir()
+
+
+@pytest.mark.fast
+def test_single_fit_neut_sc_cwl_tbti() -> None:
+    project = ed.Project()
+
+    # Set structure
+    model_path = ed.download_data(id=20, destination=TEMP_DIR)
+    project.structures.add_from_cif_path(model_path)
+
+    # Set experiment
+    data_path = ed.download_data(id=19, destination=TEMP_DIR)
+    project.experiments.add_from_data_path(
+        name='heidi',
+        data_path=data_path,
+        sample_form='single crystal',
+        beam_mode='constant wavelength',
+        radiation_probe='neutron',
+        scattering_type='bragg',
+    )
+    experiment = project.experiments['heidi']
+    experiment.linked_crystal.id = 'tbti'
+    experiment.linked_crystal.scale = 3
+    experiment.instrument.setup_wavelength = 0.793
+    experiment.extinction.mosaicity = 29820
+    experiment.extinction.radius = 27
+
+    # Select fitting parameters (experiment only)
+    # Structure parameters are selected in the loaded CIF file
+    experiment.linked_crystal.scale.free = True
+    experiment.extinction.radius.free = True
+
+    # Perform fit
+    project.analysis.fit()
+
+    # Compare fit quality
+    chi2 = project.analysis.fit_results.reduced_chi_square
+    assert chi2 == pytest.approx(expected=12.9, abs=0.1)
+
+
+@pytest.mark.fast
+def test_single_fit_neut_sc_tof_taurine() -> None:
+    project = ed.Project()
+
+    # Set structure
+    model_path = ed.download_data(id=21, destination=TEMP_DIR)
+    project.structures.add_from_cif_path(model_path)
+
+    # Set experiment
+    data_path = ed.download_data(id=22, destination=TEMP_DIR)
+    project.experiments.add_from_data_path(
+        name='senju',
+        data_path=data_path,
+        sample_form='single crystal',
+        beam_mode='time-of-flight',
+        radiation_probe='neutron',
+        scattering_type='bragg',
+    )
+    experiment = project.experiments['senju']
+    experiment.linked_crystal.id = 'taurine'
+    experiment.linked_crystal.scale = 1.4
+    experiment.extinction.mosaicity = 1000.0
+    experiment.extinction.radius = 2.0
+
+    # Select fitting parameters (experiment only)
+    # Structure parameters are selected in the loaded CIF file
+    experiment.linked_crystal.scale.free = True
+    experiment.extinction.radius.free = True
+
+    # Perform fit
+    project.analysis.fit()
+
+    # Compare fit quality
+    chi2 = project.analysis.fit_results.reduced_chi_square
+    assert chi2 == pytest.approx(expected=23.6, abs=0.1)
+
+
+if __name__ == '__main__':
+    test_single_fit_neut_sc_cwl_tbti()
+    test_single_fit_neut_sc_tof_taurine()
diff --git a/tests/integration/scipp-analysis/dream/conftest.py b/tests/integration/scipp-analysis/dream/conftest.py
index 56aabf1f..b16da0a1 100644
--- a/tests/integration/scipp-analysis/dream/conftest.py
+++ b/tests/integration/scipp-analysis/dream/conftest.py
@@ -1,5 +1,6 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2026 DMSC
+
 """Shared fixtures for DREAM scipp-analysis integration tests.
 
 This module provides pytest fixtures for downloading and parsing
diff --git a/tests/integration/scipp-analysis/dream/test_analyze_reduced_data.py b/tests/integration/scipp-analysis/dream/test_analyze_reduced_data.py
index eb528ff5..23821ee2 100644
--- a/tests/integration/scipp-analysis/dream/test_analyze_reduced_data.py
+++ b/tests/integration/scipp-analysis/dream/test_analyze_reduced_data.py
@@ -1,10 +1,11 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2026 DMSC
+
 """Tests for analyzing reduced diffraction data using easydiffraction.
 
 These tests verify the complete workflow:
 1. Define project
-2. Add sample model manually defined
+2. Add structure manually defined
 3. Modify experiment CIF file
 4. Add experiment from modified CIF file
 5. Modify default experiment configuration
@@ -56,11 +57,11 @@ def prepared_cif_path(
 def project_with_data(
     prepared_cif_path: str,
 ) -> ed.Project:
-    """Create project with sample model, experiment data, and
+    """Create project with structure, experiment data, and
     configuration.
 
     1. Define project
-    2. Add sample model manually defined
+    2. Add structure manually defined
     3. Modify experiment CIF file
     4. Add experiment from modified CIF file
     5. Modify default experiment configuration
@@ -68,16 +69,16 @@ def project_with_data(
     # Step 1: Define Project
     project = ed.Project()
 
-    # Step 2: Define Sample Model manually
-    project.sample_models.add(name='si')
-    sample_model = project.sample_models['si']
+    # Step 2: Define Structure manually
+    project.structures.create(name='si')
+    structure = project.structures['si']
 
-    sample_model.space_group.name_h_m = 'F d -3 m'
-    sample_model.space_group.it_coordinate_system_code = '1'
+    structure.space_group.name_h_m = 'F d -3 m'
+    structure.space_group.it_coordinate_system_code = '1'
 
-    sample_model.cell.length_a = 5.43146
+    structure.cell.length_a = 5.43146
 
-    sample_model.atom_sites.add(
+    structure.atom_sites.create(
         label='Si',
         type_symbol='Si',
         fract_x=0.125,
@@ -88,12 +89,12 @@ def project_with_data(
     )
 
     # Step 3: Add experiment from modified CIF file
-    project.experiments.add(cif_path=prepared_cif_path)
+    project.experiments.add_from_cif_path(prepared_cif_path)
     experiment = project.experiments['reduced_tof']
 
     # Step 4: Configure experiment
     # Link phase
-    experiment.linked_phases.add(id='si', scale=0.8)
+    experiment.linked_phases.create(id='si', scale=0.8)
 
     # Instrument setup
     experiment.instrument.setup_twotheta_bank = 90.0
@@ -109,8 +110,8 @@ def project_with_data(
     experiment.peak.asym_alpha_1 = 0.26
 
     # Excluded regions
-    experiment.excluded_regions.add(id='1', start=0, end=10000)
-    experiment.excluded_regions.add(id='2', start=70000, end=200000)
+    experiment.excluded_regions.create(id='1', start=0, end=10000)
+    experiment.excluded_regions.create(id='2', start=70000, end=200000)
 
     # Background points
     background_points = [
@@ -124,7 +125,7 @@ def project_with_data(
         ('9', 70000, 0.6),
     ]
     for id_, x, y in background_points:
-        experiment.background.add(id=id_, x=x, y=y)
+        experiment.background.create(id=id_, x=x, y=y)
 
     return project
 
@@ -139,12 +140,12 @@ def fitted_project(
     7. Do fitting
     """
     project = project_with_data
-    sample_model = project.sample_models['si']
+    structure = project.structures['si']
     experiment = project.experiments['reduced_tof']
 
     # Step 5: Select parameters to be fitted
-    # Set free parameters for sample model
-    sample_model.atom_sites['Si'].b_iso.free = True
+    # Set free parameters for structure
+    structure.atom_sites['Si'].b_iso.free = True
 
     # Set free parameters for experiment
     experiment.linked_phases['si'].scale.free = True
diff --git a/tests/integration/scipp-analysis/dream/test_package_import.py b/tests/integration/scipp-analysis/dream/test_package_import.py
index 7c10d02b..03125806 100644
--- a/tests/integration/scipp-analysis/dream/test_package_import.py
+++ b/tests/integration/scipp-analysis/dream/test_package_import.py
@@ -1,5 +1,6 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2026 DMSC
+
 """Tests for verifying package installation and version consistency.
 
 These tests check that easydiffraction and essdiffraction packages are
diff --git a/tests/integration/scipp-analysis/dream/test_read_reduced_data.py b/tests/integration/scipp-analysis/dream/test_read_reduced_data.py
index 616c9876..db589354 100644
--- a/tests/integration/scipp-analysis/dream/test_read_reduced_data.py
+++ b/tests/integration/scipp-analysis/dream/test_read_reduced_data.py
@@ -1,5 +1,6 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2026 DMSC
+
 """Tests for reading reduced data from CIF files.
 
 These tests verify that the CIF file can be fetched, read as text,
diff --git a/tests/integration/scipp-analysis/dream/test_validate_meta_data.py b/tests/integration/scipp-analysis/dream/test_validate_meta_data.py
index 7712dbc3..6f07845a 100644
--- a/tests/integration/scipp-analysis/dream/test_validate_meta_data.py
+++ b/tests/integration/scipp-analysis/dream/test_validate_meta_data.py
@@ -1,5 +1,6 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2026 DMSC
+
 """Tests for validating metadata structure in CIF files.
 
 These tests verify that the CIF file contains the expected data blocks,
diff --git a/tests/integration/scipp-analysis/dream/test_validate_physical_data.py b/tests/integration/scipp-analysis/dream/test_validate_physical_data.py
index f1be5eb3..a8e5d4fb 100644
--- a/tests/integration/scipp-analysis/dream/test_validate_physical_data.py
+++ b/tests/integration/scipp-analysis/dream/test_validate_physical_data.py
@@ -1,5 +1,6 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2026 DMSC
+
 """Tests for validating physical data values in CIF files.
 
 These tests verify that numerical data columns contain valid,
diff --git a/tests/unit/easydiffraction/analysis/calculators/test_base.py b/tests/unit/easydiffraction/analysis/calculators/test_base.py
index 6483af6e..5070b9a3 100644
--- a/tests/unit/easydiffraction/analysis/calculators/test_base.py
+++ b/tests/unit/easydiffraction/analysis/calculators/test_base.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.analysis.calculators.base as MUT
 
diff --git a/tests/unit/easydiffraction/analysis/calculators/test_crysfml.py b/tests/unit/easydiffraction/analysis/calculators/test_crysfml.py
index 866d4008..a6a1371c 100644
--- a/tests/unit/easydiffraction/analysis/calculators/test_crysfml.py
+++ b/tests/unit/easydiffraction/analysis/calculators/test_crysfml.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import pytest
@@ -17,7 +17,7 @@ def test_crysfml_engine_flag_and_structure_factors_raises():
     # engine_imported is a boolean flag; it may be False in our env
     assert isinstance(calc.engine_imported, bool)
     with pytest.raises(NotImplementedError):
-        calc.calculate_structure_factors(sample_models=None, experiments=None)
+        calc.calculate_structure_factors(structures=None, experiments=None)
 
 
 def test_crysfml_adjust_pattern_length_truncates():
diff --git a/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py b/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py
index 9289c15e..8593bfe0 100644
--- a/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py
+++ b/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.analysis.calculators.cryspy as MUT
 
@@ -21,5 +22,5 @@ class DummySample:
         def as_cif(self):
             return 'data_x'
 
-    # _convert_sample_model_to_cryspy_cif returns input as_cif
-    assert calc._convert_sample_model_to_cryspy_cif(DummySample()) == 'data_x'
+    # _convert_structure_to_cryspy_cif returns input as_cif
+    assert calc._convert_structure_to_cryspy_cif(DummySample()) == 'data_x'
diff --git a/tests/unit/easydiffraction/analysis/calculators/test_factory.py b/tests/unit/easydiffraction/analysis/calculators/test_factory.py
index 7cf9fc25..681299fa 100644
--- a/tests/unit/easydiffraction/analysis/calculators/test_factory.py
+++ b/tests/unit/easydiffraction/analysis/calculators/test_factory.py
@@ -1,41 +1,22 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-def test_list_and_show_supported_calculators_do_not_crash(capsys, monkeypatch):
+import pytest
+
+
+def test_supported_tags_and_show_supported(capsys):
     from easydiffraction.analysis.calculators.factory import CalculatorFactory
 
-    # Simulate no engines available by forcing engine_imported to False
-    class DummyCalc:
-        def __call__(self):
-            return self
-
-        @property
-        def engine_imported(self):
-            return False
-
-    monkeypatch = monkeypatch  # keep name
-    monkeypatch.setitem(
-        CalculatorFactory._potential_calculators,
-        'dummy',
-        {
-            'description': 'Dummy calc',
-            'class': DummyCalc,
-        },
-    )
-
-    lst = CalculatorFactory.list_supported_calculators()
-    assert isinstance(lst, list)
-
-    CalculatorFactory.show_supported_calculators()
+    tags = CalculatorFactory.supported_tags()
+    assert isinstance(tags, list)
+
+    CalculatorFactory.show_supported()
     out = capsys.readouterr().out
-    # Should print the paragraph title
-    assert 'Supported calculators' in out
+    assert 'Supported types' in out
 
 
-def test_create_calculator_unknown_returns_none(capsys):
+def test_create_unknown_raises():
     from easydiffraction.analysis.calculators.factory import CalculatorFactory
 
-    obj = CalculatorFactory.create_calculator('this_is_unknown')
-    assert obj is None
-    out = capsys.readouterr().out
-    assert 'Unknown calculator' in out
+    with pytest.raises(ValueError):
+        CalculatorFactory.create('this_is_unknown')
diff --git a/tests/unit/easydiffraction/analysis/calculators/test_pdffit.py b/tests/unit/easydiffraction/analysis/calculators/test_pdffit.py
index e7662d43..9dce59f5 100644
--- a/tests/unit/easydiffraction/analysis/calculators/test_pdffit.py
+++ b/tests/unit/easydiffraction/analysis/calculators/test_pdffit.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -16,7 +16,7 @@ def test_pdffit_engine_flag_and_hkl_message(capsys):
     calc = PdffitCalculator()
     assert isinstance(calc.engine_imported, bool)
     # calculate_structure_factors prints fixed message and returns [] by contract
-    out = calc.calculate_structure_factors(sample_models=None, experiments=None)
+    out = calc.calculate_structure_factors(structures=None, experiments=None)
     assert out == []
     # The method prints a note
     printed = capsys.readouterr().out
@@ -53,7 +53,7 @@ def __init__(self):
             self.type = type('T', (), {'radiation_probe': type('P', (), {'value': 'neutron'})()})()
             self.linked_phases = DummyLinkedPhases()
 
-    class DummySampleModel:
+    class DummyStructure:
         name = 'PhaseA'
 
         @property
@@ -93,6 +93,6 @@ def parse(self, text):
 
     calc = PdffitCalculator()
     pattern = calc.calculate_pattern(
-        DummySampleModel(), DummyExperiment(), called_by_minimizer=False
+        DummyStructure(), DummyExperiment(), called_by_minimizer=False
     )
     assert isinstance(pattern, np.ndarray) and pattern.shape[0] == 5
diff --git a/tests/unit/easydiffraction/analysis/categories/test_aliases.py b/tests/unit/easydiffraction/analysis/categories/test_aliases.py
index 73c7b9ab..2545218a 100644
--- a/tests/unit/easydiffraction/analysis/categories/test_aliases.py
+++ b/tests/unit/easydiffraction/analysis/categories/test_aliases.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from easydiffraction.analysis.categories.aliases import Alias
@@ -6,10 +6,12 @@
 
 
 def test_alias_creation_and_collection():
-    a = Alias(label='x', param_uid='p1')
+    a = Alias()
+    a.label = 'x'
+    a.param_uid = 'p1'
     assert a.label.value == 'x'
     coll = Aliases()
-    coll.add(label='x', param_uid='p1')
+    coll.create(label='x', param_uid='p1')
     # Collections index by entry name; check via names or direct indexing
     assert 'x' in coll.names
     assert coll['x'].param_uid.value == 'p1'
diff --git a/tests/unit/easydiffraction/analysis/categories/test_constraints.py b/tests/unit/easydiffraction/analysis/categories/test_constraints.py
index 542a9f52..15dddc4f 100644
--- a/tests/unit/easydiffraction/analysis/categories/test_constraints.py
+++ b/tests/unit/easydiffraction/analysis/categories/test_constraints.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from easydiffraction.analysis.categories.constraints import Constraint
@@ -6,9 +6,11 @@
 
 
 def test_constraint_creation_and_collection():
-    c = Constraint(lhs_alias='a', rhs_expr='b + c')
-    assert c.lhs_alias.value == 'a'
+    c = Constraint()
+    c.expression = 'a = b + c'
+    assert c.lhs_alias == 'a'
+    assert c.rhs_expr == 'b + c'
     coll = Constraints()
-    coll.add(lhs_alias='a', rhs_expr='b + c')
+    coll.create(expression='a = b + c')
     assert 'a' in coll.names
-    assert coll['a'].rhs_expr.value == 'b + c'
+    assert coll['a'].rhs_expr == 'b + c'
diff --git a/tests/unit/easydiffraction/analysis/categories/test_joint_fit_experiments.py b/tests/unit/easydiffraction/analysis/categories/test_joint_fit_experiments.py
index 6a134ea0..51777f11 100644
--- a/tests/unit/easydiffraction/analysis/categories/test_joint_fit_experiments.py
+++ b/tests/unit/easydiffraction/analysis/categories/test_joint_fit_experiments.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from easydiffraction.analysis.categories.joint_fit_experiments import JointFitExperiment
@@ -6,10 +6,12 @@
 
 
 def test_joint_fit_experiment_and_collection():
-    j = JointFitExperiment(id='ex1', weight=0.5)
+    j = JointFitExperiment()
+    j.id = 'ex1'
+    j.weight = 0.5
     assert j.id.value == 'ex1'
     assert j.weight.value == 0.5
     coll = JointFitExperiments()
-    coll.add(id='ex1', weight=0.5)
+    coll.create(id='ex1', weight=0.5)
     assert 'ex1' in coll.names
     assert coll['ex1'].weight.value == 0.5
diff --git a/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py b/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py
index 2af9f167..2fc968f8 100644
--- a/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py
+++ b/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -31,9 +31,9 @@ def test_get_reliability_inputs_collects_arrays_with_default_su():
     # Minimal fakes for experiments
     class DS:
         def __init__(self):
-            self.meas = np.array([1.0, 2.0])
-            self.meas_su = None  # triggers default ones
-            self.calc = np.array([1.1, 1.9])
+            self.intensity_meas = np.array([1.0, 2.0])
+            self.intensity_meas_su = None  # triggers default ones
+            self.intensity_calc = np.array([1.1, 1.9])
 
     class Expt:
         def __init__(self):
@@ -46,9 +46,9 @@ class Expts(dict):
         def values(self):
             return [Expt()]
 
-    class SampleModels(dict):
+    class DummyStructures(dict):
         pass
 
-    y_obs, y_calc, y_err = M.get_reliability_inputs(SampleModels(), Expts())
+    y_obs, y_calc, y_err = M.get_reliability_inputs(DummyStructures(), Expts())
     assert y_obs.shape == (2,) and y_calc.shape == (2,) and y_err.shape == (2,)
     assert np.allclose(y_err, 1.0)
diff --git a/tests/unit/easydiffraction/analysis/fit_helpers/test_reporting.py b/tests/unit/easydiffraction/analysis/fit_helpers/test_reporting.py
index 458519ce..ee8014f2 100644
--- a/tests/unit/easydiffraction/analysis/fit_helpers/test_reporting.py
+++ b/tests/unit/easydiffraction/analysis/fit_helpers/test_reporting.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.analysis.fit_helpers.reporting as MUT
 
diff --git a/tests/unit/easydiffraction/analysis/fit_helpers/test_tracking.py b/tests/unit/easydiffraction/analysis/fit_helpers/test_tracking.py
index bf3873ab..561eb54c 100644
--- a/tests/unit/easydiffraction/analysis/fit_helpers/test_tracking.py
+++ b/tests/unit/easydiffraction/analysis/fit_helpers/test_tracking.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
diff --git a/tests/unit/easydiffraction/analysis/minimizers/test_base.py b/tests/unit/easydiffraction/analysis/minimizers/test_base.py
index dca36ee1..501a2a98 100644
--- a/tests/unit/easydiffraction/analysis/minimizers/test_base.py
+++ b/tests/unit/easydiffraction/analysis/minimizers/test_base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -49,7 +49,7 @@ def _check_success(self, raw_result):
 
         # Provide residuals implementation used by _objective_function
         def _compute_residuals(
-            self, engine_params, parameters, sample_models, experiments, calculator
+            self, engine_params, parameters, structures, experiments, calculator
         ):
             # Minimal residuals; verify engine params passed through
             assert engine_params == {'ok': True}
@@ -62,7 +62,7 @@ def _compute_residuals(
     # Wrap minimizer's objective creator to simulate higher-level usage
     objective = minim._create_objective_function(
         parameters=params,
-        sample_models=None,
+        structures=None,
         experiments=None,
         calculator=None,
     )
@@ -94,14 +94,14 @@ def _check_success(self, raw_result):
             return True
 
         def _compute_residuals(
-            self, engine_params, parameters, sample_models, experiments, calculator
+            self, engine_params, parameters, structures, experiments, calculator
         ):
             # Return a deterministic vector to assert against
             return np.array([1.0, 2.0, 3.0])
 
     m = M()
     f = m._create_objective_function(
-        parameters=[], sample_models=None, experiments=None, calculator=None
+        parameters=[], structures=None, experiments=None, calculator=None
     )
     out = f({})
     assert np.allclose(out, np.array([1.0, 2.0, 3.0]))
diff --git a/tests/unit/easydiffraction/analysis/minimizers/test_dfols.py b/tests/unit/easydiffraction/analysis/minimizers/test_dfols.py
index f0a9ea9d..72d01949 100644
--- a/tests/unit/easydiffraction/analysis/minimizers/test_dfols.py
+++ b/tests/unit/easydiffraction/analysis/minimizers/test_dfols.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -15,11 +15,22 @@ def test_dfols_prepare_run_and_sync(monkeypatch):
 
     class P:
         def __init__(self, v, lo=-np.inf, hi=np.inf):
-            self.value = v
+            self._value = v
             self.fit_min = lo
             self.fit_max = hi
             self.uncertainty = None
 
+        @property
+        def value(self):
+            return self._value
+
+        @value.setter
+        def value(self, v):
+            self._value = v
+
+        def _set_value_from_minimizer(self, v):
+            self._value = v
+
     class FakeRes:
         EXIT_SUCCESS = 0
 
diff --git a/tests/unit/easydiffraction/analysis/minimizers/test_factory.py b/tests/unit/easydiffraction/analysis/minimizers/test_factory.py
index 940143a6..961ef782 100644
--- a/tests/unit/easydiffraction/analysis/minimizers/test_factory.py
+++ b/tests/unit/easydiffraction/analysis/minimizers/test_factory.py
@@ -1,37 +1,42 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_minimizer_factory_list_and_show(capsys):
     from easydiffraction.analysis.minimizers.factory import MinimizerFactory
 
-    lst = MinimizerFactory.list_available_minimizers()
+    lst = MinimizerFactory.supported_tags()
     assert isinstance(lst, list) and len(lst) >= 1
-    MinimizerFactory.show_available_minimizers()
+    MinimizerFactory.show_supported()
     out = capsys.readouterr().out
-    assert 'Supported minimizers' in out
+    assert 'Supported types' in out
 
 
 def test_minimizer_factory_unknown_raises():
     from easydiffraction.analysis.minimizers.factory import MinimizerFactory
 
     try:
-        MinimizerFactory.create_minimizer('___unknown___')
+        MinimizerFactory.create('___unknown___')
     except ValueError as e:
-        assert 'Unknown minimizer' in str(e)
+        assert 'Unsupported type' in str(e)
     else:
         assert False, 'Expected ValueError'
 
 
-def test_minimizer_factory_create_known_and_register(monkeypatch):
+def test_minimizer_factory_create_known_and_register():
     from easydiffraction.analysis.minimizers.base import MinimizerBase
     from easydiffraction.analysis.minimizers.factory import MinimizerFactory
+    from easydiffraction.core.metadata import TypeInfo
 
-    # Create a known minimizer instance (lmfit (leastsq) exists)
-    m = MinimizerFactory.create_minimizer('lmfit (leastsq)')
+    # Create a known minimizer instance (lmfit exists)
+    m = MinimizerFactory.create('lmfit')
     assert isinstance(m, MinimizerBase)
 
     # Register a custom minimizer and create it
+    @MinimizerFactory.register
     class Custom(MinimizerBase):
+        type_info = TypeInfo(tag='custom-test', description='x')
+
         def _prepare_solver_args(self, parameters):
             return {}
 
@@ -44,8 +49,5 @@ def _sync_result_to_parameters(self, raw_result, parameters):
         def _check_success(self, raw_result):
             return True
 
-    MinimizerFactory.register_minimizer(
-        name='custom-test', minimizer_cls=Custom, method=None, description='x'
-    )
-    created = MinimizerFactory.create_minimizer('custom-test')
+    created = MinimizerFactory.create('custom-test')
     assert isinstance(created, Custom)
diff --git a/tests/unit/easydiffraction/analysis/minimizers/test_lmfit.py b/tests/unit/easydiffraction/analysis/minimizers/test_lmfit.py
index c2385ee4..69005bd1 100644
--- a/tests/unit/easydiffraction/analysis/minimizers/test_lmfit.py
+++ b/tests/unit/easydiffraction/analysis/minimizers/test_lmfit.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import types
@@ -32,6 +32,9 @@ def value(self):
         def value(self, v):
             self._value = v
 
+        def _set_value_from_minimizer(self, v):
+            self._value = v
+
     # Fake lmfit.Parameters and result structure
     class FakeParam:
         def __init__(self, value, stderr=None):
diff --git a/tests/unit/easydiffraction/analysis/test_analysis.py b/tests/unit/easydiffraction/analysis/test_analysis.py
index 4a16d206..19bc3c2a 100644
--- a/tests/unit/easydiffraction/analysis/test_analysis.py
+++ b/tests/unit/easydiffraction/analysis/test_analysis.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.analysis.analysis as MUT
 
@@ -20,68 +21,96 @@ def names(self):
 
     class P:
         experiments = ExpCol(names)
-        sample_models = object()
+        structures = object()
         _varname = 'proj'
 
     return P()
 
 
-def test_show_current_calculator_and_minimizer_prints(capsys):
+def test_show_current_minimizer_prints(capsys):
     from easydiffraction.analysis.analysis import Analysis
 
     a = Analysis(project=_make_project_with_names([]))
-    a.show_current_calculator()
     a.show_current_minimizer()
     out = capsys.readouterr().out
-    assert 'Current calculator' in out
-    assert 'cryspy' in out
     assert 'Current minimizer' in out
-    assert 'lmfit (leastsq)' in out
+    assert 'lmfit' in out
 
 
-def test_current_calculator_setter_success_and_unknown(monkeypatch, capsys):
-    from easydiffraction.analysis import calculators as calc_pkg
+def test_fit_mode_category_and_joint_fit_experiments(monkeypatch, capsys):
+    from easydiffraction.analysis.analysis import Analysis
+
+    a = Analysis(project=_make_project_with_names(['e1', 'e2']))
+
+    # Default fit mode is 'single'
+    assert a.fit_mode.mode.value == 'single'
+
+    # Switch to joint
+    a.fit_mode.mode = 'joint'
+    assert a.fit_mode.mode.value == 'joint'
+
+    # joint_fit_experiments exists but is empty until fit() populates it
+    assert len(a.joint_fit_experiments) == 0
+
+
+def test_fit_mode_type_getter(capsys):
     from easydiffraction.analysis.analysis import Analysis
 
     a = Analysis(project=_make_project_with_names([]))
+    assert a.fit_mode_type == 'default'
+
+
+def test_show_supported_fit_mode_types(capsys):
+    from easydiffraction.analysis.analysis import Analysis
+
+    a = Analysis(project=_make_project_with_names([]))
+    a.show_supported_fit_mode_types()
+    out = capsys.readouterr().out
+    assert 'default' in out
 
-    # Success path
-    monkeypatch.setattr(
-        calc_pkg.factory.CalculatorFactory,
-        'create_calculator',
-        lambda name: object(),
-    )
-    a.current_calculator = 'pdffit'
+
+def test_show_current_fit_mode_type(capsys):
+    from easydiffraction.analysis.analysis import Analysis
+
+    a = Analysis(project=_make_project_with_names([]))
+    a.show_current_fit_mode_type()
     out = capsys.readouterr().out
-    assert 'Current calculator changed to' in out
-    assert a.current_calculator == 'pdffit'
+    assert 'Current fit-mode type' in out
+    assert 'default' in out
 
-    # Unknown path (create_calculator returns None): no change
-    monkeypatch.setattr(
-        calc_pkg.factory.CalculatorFactory,
-        'create_calculator',
-        lambda name: None,
-    )
-    a.current_calculator = 'unknown'
-    assert a.current_calculator == 'pdffit'
+
+def test_fit_mode_type_setter_valid(capsys):
+    from easydiffraction.analysis.analysis import Analysis
+
+    a = Analysis(project=_make_project_with_names([]))
+    a.fit_mode_type = 'default'
+    assert a.fit_mode_type == 'default'
 
 
-def test_fit_modes_show_and_switch_to_joint(monkeypatch, capsys):
+def test_fit_mode_type_setter_invalid(capsys):
     from easydiffraction.analysis.analysis import Analysis
 
-    a = Analysis(project=_make_project_with_names(['e1', 'e2']))
+    a = Analysis(project=_make_project_with_names([]))
+    a.fit_mode_type = 'nonexistent'
+    out = capsys.readouterr().out
+    assert 'Unsupported' in out
+    # Type should remain unchanged
+    assert a.fit_mode_type == 'default'
 
-    a.show_available_fit_modes()
-    a.show_current_fit_mode()
-    out1 = capsys.readouterr().out
-    assert 'Available fit modes' in out1
-    assert 'Current fit mode' in out1
-    assert 'single' in out1
 
-    a.fit_mode = 'joint'
-    out2 = capsys.readouterr().out
-    assert 'Current fit mode changed to' in out2
-    assert a.fit_mode == 'joint'
+def test_analysis_help(capsys):
+    from easydiffraction.analysis.analysis import Analysis
+
+    a = Analysis(project=_make_project_with_names([]))
+    a.help()
+    out = capsys.readouterr().out
+    assert "Help for 'Analysis'" in out
+    assert 'fit_mode' in out
+    assert 'current_minimizer' in out
+    assert 'Properties' in out
+    assert 'Methods' in out
+    assert 'fit()' in out
+    assert 'show_fit_results()' in out
 
 
 def test_show_fit_results_warns_when_no_results(capsys):
@@ -105,13 +134,13 @@ def test_show_fit_results_calls_process_fit_results(monkeypatch):
     # Track if _process_fit_results was called
     process_called = {'called': False, 'args': None}
 
-    def mock_process_fit_results(sample_models, experiments):
+    def mock_process_fit_results(structures, experiments):
         process_called['called'] = True
-        process_called['args'] = (sample_models, experiments)
+        process_called['args'] = (structures, experiments)
 
-    # Create a mock project with sample_models and experiments
+    # Create a mock project with structures and experiments
     class MockProject:
-        sample_models = object()
+        structures = object()
         experiments = object()
         _varname = 'proj'
 
@@ -121,7 +150,7 @@ class experiments_cls:
         experiments = experiments_cls()
 
     project = MockProject()
-    project.sample_models = object()
+    project.structures = object()
     project.experiments.names = []
 
     a = Analysis(project=project)
diff --git a/tests/unit/easydiffraction/analysis/test_analysis_access_params.py b/tests/unit/easydiffraction/analysis/test_analysis_access_params.py
index df8827ea..bdd5ead0 100644
--- a/tests/unit/easydiffraction/analysis/test_analysis_access_params.py
+++ b/tests/unit/easydiffraction/analysis/test_analysis_access_params.py
@@ -1,21 +1,22 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_how_to_access_parameters_prints_paths_and_uids(capsys, monkeypatch):
+    import easydiffraction.analysis.analysis as analysis_mod
     from easydiffraction.analysis.analysis import Analysis
-    from easydiffraction.core.parameters import Parameter
     from easydiffraction.core.validation import AttributeSpec
-    from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import Parameter
     from easydiffraction.io.cif.handler import CifHandler
-    import easydiffraction.analysis.analysis as analysis_mod
 
     # Build two parameters with identity metadata set directly
     def make_param(db, cat, entry, name, val):
         p = Parameter(
             name=name,
-            value_spec=AttributeSpec(value=val, type_=DataTypes.NUMERIC, default=0.0),
+            value_spec=AttributeSpec(default=0.0),
             cif_handler=CifHandler(names=[f'_{cat}.{name}']),
         )
+        p.value = val
         # Inject identity metadata (avoid parent chain)
         p._identity.datablock_entry_name = lambda: db
         p._identity.category_code = cat
@@ -36,7 +37,7 @@ class Project:
         _varname = 'proj'
 
         def __init__(self):
-            self.sample_models = Coll([p1])
+            self.structures = Coll([p1])
             self.experiments = Coll([p2])
 
     # Capture the table payload by monkeypatching render_table to avoid
@@ -63,7 +64,7 @@ def fake_render_table(**kwargs):
     flat_rows = [' '.join(map(str, row)) for row in data]
 
     # Python access paths
-    assert any("proj.sample_models['db1'].catA.alpha" in r for r in flat_rows)
+    assert any("proj.structures['db1'].catA.alpha" in r for r in flat_rows)
     assert any("proj.experiments['db2'].catB['row1'].beta" in r for r in flat_rows)
 
     # Now check CIF unique identifiers via the new API
diff --git a/tests/unit/easydiffraction/analysis/test_analysis_show_empty.py b/tests/unit/easydiffraction/analysis/test_analysis_show_empty.py
index 8503398c..7f2895b4 100644
--- a/tests/unit/easydiffraction/analysis/test_analysis_show_empty.py
+++ b/tests/unit/easydiffraction/analysis/test_analysis_show_empty.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_show_params_empty_branches(capsys):
     from easydiffraction.analysis.analysis import Analysis
 
@@ -18,7 +19,7 @@ def free_parameters(self):
             return []
 
     class P:
-        sample_models = Empty()
+        structures = Empty()
         experiments = Empty()
         _varname = 'proj'
 
diff --git a/tests/unit/easydiffraction/analysis/test_fitting.py b/tests/unit/easydiffraction/analysis/test_fitting.py
index 990cabaf..ed9ea419 100644
--- a/tests/unit/easydiffraction/analysis/test_fitting.py
+++ b/tests/unit/easydiffraction/analysis/test_fitting.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.analysis.fitting as MUT
 
@@ -25,13 +26,13 @@ def names(self):
     class DummyMin:
         tracker = type('T', (), {'track': staticmethod(lambda a, b: a)})()
 
-        def fit(self, params, obj):
+        def fit(self, params, obj, verbosity=None):
             return None
 
     f = Fitter()
     # Avoid creating a real minimizer
     f.minimizer = DummyMin()
-    f.fit(sample_models=DummyCollection(), experiments=DummyCollection())
+    f.fit(structures=DummyCollection(), experiments=DummyCollection())
     out = capsys.readouterr().out
     assert 'No parameters selected for fitting' in out
 
@@ -65,7 +66,7 @@ class MockFitResults:
     class DummyMin:
         tracker = type('T', (), {'track': staticmethod(lambda a, b: a)})()
 
-        def fit(self, params, obj):
+        def fit(self, params, obj, verbosity=None):
             return MockFitResults()
 
         def _sync_result_to_parameters(self, params, engine_params):
@@ -83,7 +84,7 @@ def mock_process(*args, **kwargs):
 
     monkeypatch.setattr(f, '_process_fit_results', mock_process)
 
-    f.fit(sample_models=DummyCollection(), experiments=DummyCollection())
+    f.fit(structures=DummyCollection(), experiments=DummyCollection())
 
     assert not process_called['called'], (
         'Fitter.fit() should not call _process_fit_results automatically. '
diff --git a/tests/unit/easydiffraction/core/test_category.py b/tests/unit/easydiffraction/core/test_category.py
index 6143c479..632d96f1 100644
--- a/tests/unit/easydiffraction/core/test_category.py
+++ b/tests/unit/easydiffraction/core/test_category.py
@@ -1,26 +1,24 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from easydiffraction.core.category import CategoryCollection
 from easydiffraction.core.category import CategoryItem
-from easydiffraction.core.parameters import StringDescriptor
 from easydiffraction.core.validation import AttributeSpec
-from easydiffraction.core.validation import DataTypes
+from easydiffraction.core.variable import StringDescriptor
 from easydiffraction.io.cif.handler import CifHandler
 
 
 class SimpleItem(CategoryItem):
-    def __init__(self, entry_name):
+    def __init__(self):
         super().__init__()
         self._identity.category_code = 'simple'
-        self._identity.category_entry_name = entry_name
         object.__setattr__(
             self,
             '_a',
             StringDescriptor(
                 name='a',
                 description='',
-                value_spec=AttributeSpec(value='x', type_=DataTypes.STRING, default=''),
+                value_spec=AttributeSpec(default='_'),
                 cif_handler=CifHandler(names=['_simple.a']),
             ),
         )
@@ -30,19 +28,28 @@ def __init__(self, entry_name):
             StringDescriptor(
                 name='b',
                 description='',
-                value_spec=AttributeSpec(value='y', type_=DataTypes.STRING, default=''),
+                value_spec=AttributeSpec(default='_'),
                 cif_handler=CifHandler(names=['_simple.b']),
             ),
         )
+        self._identity.category_entry_name = lambda: str(self._a.value)
 
     @property
     def a(self):
         return self._a
 
+    @a.setter
+    def a(self, value):
+        self._a.value = value
+
     @property
     def b(self):
         return self._b
 
+    @b.setter
+    def b(self, value):
+        self._b.value = value
+
 
 class SimpleCollection(CategoryCollection):
     def __init__(self):
@@ -50,7 +57,8 @@ def __init__(self):
 
 
 def test_category_item_str_and_properties():
-    it = SimpleItem('name1')
+    it = SimpleItem()
+    it.a = 'name1'
     s = str(it)
     assert '<' in s and 'a=' in s and 'b=' in s
     assert it.unique_name.endswith('.simple.name1') or it.unique_name == 'simple.name1'
@@ -59,9 +67,33 @@ def test_category_item_str_and_properties():
 
 def test_category_collection_str_and_cif_calls():
     c = SimpleCollection()
-    c.add('n1')
-    c.add('n2')
+    c.create(a='n1')
+    c.create(a='n2')
     s = str(c)
     assert 'collection' in s and '2 items' in s
     # as_cif delegates to serializer; should be a string (possibly empty)
     assert isinstance(c.as_cif, str)
+
+
+def test_category_item_help(capsys):
+    it = SimpleItem()
+    it.a = 'name1'
+    it.help()
+    out = capsys.readouterr().out
+    assert 'Help for' in out
+    assert 'Parameters' in out
+    assert 'string' in out  # Type column
+    assert '✓' in out  # a and b are writable
+    assert 'Methods' in out
+
+
+def test_category_collection_help(capsys):
+    c = SimpleCollection()
+    c.create(a='n1')
+    c.create(a='n2')
+    c.help()
+    out = capsys.readouterr().out
+    assert 'Help for' in out
+    assert 'Items (2)' in out
+    assert 'n1' in out
+    assert 'n2' in out
diff --git a/tests/unit/easydiffraction/core/test_collection.py b/tests/unit/easydiffraction/core/test_collection.py
index 9d89afea..bbbd9c65 100644
--- a/tests/unit/easydiffraction/core/test_collection.py
+++ b/tests/unit/easydiffraction/core/test_collection.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_collection_add_get_delete_and_names():
     from easydiffraction.core.collection import CollectionBase
     from easydiffraction.core.identity import Identity
@@ -29,3 +30,136 @@ def as_cif(self) -> str:
     assert c['a'] is a2 and len(list(c.keys())) == 2
     del c['b']
     assert list(c.names) == ['a']
+
+
+def test_collection_contains():
+    from easydiffraction.core.collection import CollectionBase
+    from easydiffraction.core.identity import Identity
+
+    class Item:
+        def __init__(self, name):
+            self._identity = Identity(owner=self, category_entry=lambda: name)
+
+    class MyCollection(CollectionBase):
+        @property
+        def parameters(self):
+            return []
+
+        @property
+        def as_cif(self) -> str:
+            return ''
+
+    c = MyCollection(item_type=Item)
+    c['x'] = Item('x')
+    assert 'x' in c
+    assert 'y' not in c
+
+
+def test_collection_remove():
+    import pytest
+
+    from easydiffraction.core.collection import CollectionBase
+    from easydiffraction.core.identity import Identity
+
+    class Item:
+        def __init__(self, name):
+            self._identity = Identity(owner=self, category_entry=lambda: name)
+
+    class MyCollection(CollectionBase):
+        @property
+        def parameters(self):
+            return []
+
+        @property
+        def as_cif(self) -> str:
+            return ''
+
+    c = MyCollection(item_type=Item)
+    c['a'] = Item('a')
+    c['b'] = Item('b')
+    c.remove('a')
+    assert 'a' not in c
+    assert len(c) == 1
+    with pytest.raises(KeyError):
+        c.remove('nonexistent')
+
+
+def test_collection_getitem_by_int_index():
+    """Verify items can be retrieved by positional index."""
+    import pytest
+
+    from easydiffraction.core.collection import CollectionBase
+    from easydiffraction.core.identity import Identity
+
+    class Item:
+        def __init__(self, name):
+            self._identity = Identity(owner=self, category_entry=lambda: name)
+
+    class MyCollection(CollectionBase):
+        @property
+        def parameters(self):
+            return []
+
+        @property
+        def as_cif(self) -> str:
+            return ''
+
+    c = MyCollection(item_type=Item)
+    a = Item('a')
+    b = Item('b')
+    c['a'] = a
+    c['b'] = b
+
+    # Forward indexing
+    assert c[0] is a
+    assert c[1] is b
+
+    # Negative indexing
+    assert c[-1] is b
+    assert c[-2] is a
+
+    # Out of range
+    with pytest.raises(IndexError):
+        c[2]
+
+    # Invalid key type
+    with pytest.raises(TypeError):
+        c[3.14]
+
+
+def test_collection_datablock_keyed_items():
+    """Verify __setitem__/__delitem__/__contains__ work for datablock-keyed items."""
+    from easydiffraction.core.collection import CollectionBase
+    from easydiffraction.core.identity import Identity
+
+    class DbItem:
+        def __init__(self, name):
+            self._identity = Identity(owner=self, datablock_entry=lambda: name)
+
+    class MyCollection(CollectionBase):
+        @property
+        def parameters(self):
+            return []
+
+        @property
+        def as_cif(self) -> str:
+            return ''
+
+    c = MyCollection(item_type=DbItem)
+    a = DbItem('alpha')
+    b = DbItem('beta')
+    c['alpha'] = a
+    c['beta'] = b
+    assert 'alpha' in c
+    assert c['alpha'] is a
+
+    # Replace
+    a2 = DbItem('alpha')
+    c['alpha'] = a2
+    assert c['alpha'] is a2
+    assert len(c) == 2
+
+    # Delete
+    del c['beta']
+    assert 'beta' not in c
+    assert len(c) == 1
diff --git a/tests/unit/easydiffraction/core/test_datablock.py b/tests/unit/easydiffraction/core/test_datablock.py
index 91d35663..b41f68b7 100644
--- a/tests/unit/easydiffraction/core/test_datablock.py
+++ b/tests/unit/easydiffraction/core/test_datablock.py
@@ -1,13 +1,13 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_datablock_collection_add_and_filters_with_real_parameters():
     from easydiffraction.core.category import CategoryItem
     from easydiffraction.core.datablock import DatablockCollection
     from easydiffraction.core.datablock import DatablockItem
-    from easydiffraction.core.parameters import Parameter
     from easydiffraction.core.validation import AttributeSpec
-    from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import Parameter
     from easydiffraction.io.cif.handler import CifHandler
 
     class Cat(CategoryItem):
@@ -19,17 +19,20 @@ def __init__(self):
             self._p1 = Parameter(
                 name='p1',
                 description='',
-                value_spec=AttributeSpec(value=1.0, type_=DataTypes.NUMERIC, default=0.0),
+                value_spec=AttributeSpec(default=0.0),
                 units='',
                 cif_handler=CifHandler(names=['_cat.p1']),
             )
             self._p2 = Parameter(
                 name='p2',
                 description='',
-                value_spec=AttributeSpec(value=2.0, type_=DataTypes.NUMERIC, default=0.0),
+                value_spec=AttributeSpec(default=0.0),
                 units='',
                 cif_handler=CifHandler(names=['_cat.p2']),
             )
+            # Set actual values via setter
+            self._p1.value = 1.0
+            self._p2.value = 2.0
             # Make p2 constrained and not free
             self._p2._constrained = True
             self._p2._free = False
@@ -59,8 +62,8 @@ def cat(self):
     coll = DatablockCollection(item_type=Block)
     a = Block('A')
     b = Block('B')
-    coll._add(a)
-    coll._add(b)
+    coll.add(a)
+    coll.add(b)
     # parameters collection aggregates from both blocks (p1 & p2 each)
     params = coll.parameters
     assert len(params) == 4
@@ -71,3 +74,63 @@ def cat(self):
     # free is subset of fittable where free=True (true for p1)
     free_params = coll.free_parameters
     assert free_params == fittable
+
+
+def test_datablock_item_help(capsys):
+    from easydiffraction.core.category import CategoryItem
+    from easydiffraction.core.datablock import DatablockItem
+    from easydiffraction.core.validation import AttributeSpec
+    from easydiffraction.core.variable import Parameter
+    from easydiffraction.io.cif.handler import CifHandler
+
+    class Cat(CategoryItem):
+        def __init__(self):
+            super().__init__()
+            self._identity.category_code = 'cat'
+            self._identity.category_entry_name = 'e1'
+            self._p1 = Parameter(
+                name='p1',
+                description='',
+                value_spec=AttributeSpec(default=0.0),
+                units='',
+                cif_handler=CifHandler(names=['_cat.p1']),
+            )
+
+        @property
+        def p1(self):
+            return self._p1
+
+    class Block(DatablockItem):
+        def __init__(self):
+            super().__init__()
+            self._identity.datablock_entry_name = lambda: 'blk'
+            self._cat = Cat()
+
+        @property
+        def cat(self):
+            return self._cat
+
+    b = Block()
+    b.help()
+    out = capsys.readouterr().out
+    assert 'Help for' in out
+    assert 'Categories' in out
+    assert 'cat' in out
+
+
+def test_datablock_collection_help(capsys):
+    from easydiffraction.core.datablock import DatablockCollection
+    from easydiffraction.core.datablock import DatablockItem
+
+    class Block(DatablockItem):
+        def __init__(self, name):
+            super().__init__()
+            self._identity.datablock_entry_name = lambda: name
+
+    coll = DatablockCollection(item_type=Block)
+    a = Block('A')
+    coll.add(a)
+    coll.help()
+    out = capsys.readouterr().out
+    assert 'Items (1)' in out
+    assert 'A' in out
diff --git a/tests/unit/easydiffraction/core/test_diagnostic.py b/tests/unit/easydiffraction/core/test_diagnostic.py
index 98e96320..cda7ce98 100644
--- a/tests/unit/easydiffraction/core/test_diagnostic.py
+++ b/tests/unit/easydiffraction/core/test_diagnostic.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import pytest
diff --git a/tests/unit/easydiffraction/core/test_factory.py b/tests/unit/easydiffraction/core/test_factory.py
index 22ffad86..78150ea5 100644
--- a/tests/unit/easydiffraction/core/test_factory.py
+++ b/tests/unit/easydiffraction/core/test_factory.py
@@ -1,29 +1,2 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-
-def test_module_import():
-    import easydiffraction.core.factory as MUT
-
-    expected_module_name = 'easydiffraction.core.factory'
-    actual_module_name = MUT.__name__
-    assert expected_module_name == actual_module_name
-
-
-def test_validate_args_valid_and_invalid():
-    import easydiffraction.core.factory as MUT
-
-    specs = [
-        {'required': ['a'], 'optional': ['b']},
-        {'required': ['x', 'y'], 'optional': []},
-    ]
-    # valid: only required
-    MUT.FactoryBase._validate_args({'a'}, specs, 'Thing')
-    # valid: required + optional subset
-    MUT.FactoryBase._validate_args({'a', 'b'}, specs, 'Thing')
-    MUT.FactoryBase._validate_args({'x', 'y'}, specs, 'Thing')
-    # invalid: unknown key
-    with pytest.raises(ValueError):
-        MUT.FactoryBase._validate_args({'a', 'c'}, specs, 'Thing')
diff --git a/tests/unit/easydiffraction/core/test_guard.py b/tests/unit/easydiffraction/core/test_guard.py
index 1cd9dd15..64d46680 100644
--- a/tests/unit/easydiffraction/core/test_guard.py
+++ b/tests/unit/easydiffraction/core/test_guard.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import pytest
@@ -51,3 +51,51 @@ def as_cif(self) -> str:
     # Unknown attribute should raise AttributeError under current logging mode
     with pytest.raises(AttributeError):
         p.child.unknown_attr = 1
+
+
+def test_help_lists_public_properties(capsys):
+    from easydiffraction.core.guard import GuardedBase
+
+    class Obj(GuardedBase):
+        @property
+        def parameters(self):
+            return []
+
+        @property
+        def as_cif(self) -> str:
+            return ''
+
+        @property
+        def name(self):
+            """Human-readable name."""
+            return 'test'
+
+        @property
+        def score(self):
+            """Computed score."""
+            return 42
+
+        @score.setter
+        def score(self, v):
+            pass
+
+    obj = Obj()
+    obj.help()
+    out = capsys.readouterr().out
+    assert "Help for 'Obj'" in out
+    assert 'name' in out
+    assert 'score' in out
+    assert 'Properties' in out
+    assert 'Methods' in out
+    assert '✓' in out  # score is writable
+    assert '✗' in out  # name is read-only
+
+
+def test_first_sentence_extracts_first_paragraph():
+    from easydiffraction.core.guard import GuardedBase
+
+    assert GuardedBase._first_sentence(None) == ''
+    assert GuardedBase._first_sentence('') == ''
+    assert GuardedBase._first_sentence('One liner.') == 'One liner.'
+    assert GuardedBase._first_sentence('First.\n\nSecond.') == 'First.'
+    assert GuardedBase._first_sentence('Line one\ncontinued.') == 'Line one continued.'
diff --git a/tests/unit/easydiffraction/core/test_identity.py b/tests/unit/easydiffraction/core/test_identity.py
index 584135d7..61da0723 100644
--- a/tests/unit/easydiffraction/core/test_identity.py
+++ b/tests/unit/easydiffraction/core/test_identity.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_identity_direct_and_parent_resolution():
     from easydiffraction.core.identity import Identity
 
diff --git a/tests/unit/easydiffraction/core/test_parameters.py b/tests/unit/easydiffraction/core/test_parameters.py
index d16603b8..4bf46f0d 100644
--- a/tests/unit/easydiffraction/core/test_parameters.py
+++ b/tests/unit/easydiffraction/core/test_parameters.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -6,36 +6,35 @@
 
 
 def test_module_import():
-    import easydiffraction.core.parameters as MUT
+    import easydiffraction.core.variable as MUT
 
-    assert MUT.__name__ == 'easydiffraction.core.parameters'
+    assert MUT.__name__ == 'easydiffraction.core.variable'
 
 
 def test_string_descriptor_type_override_raises_type_error():
     # Creating a StringDescriptor with a NUMERIC spec should raise via Diagnostics
-    from easydiffraction.core.parameters import StringDescriptor
     from easydiffraction.core.validation import AttributeSpec
     from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import StringDescriptor
     from easydiffraction.io.cif.handler import CifHandler
 
     with pytest.raises(TypeError):
         StringDescriptor(
             name='title',
-            value_spec=AttributeSpec(value='abc', type_=DataTypes.NUMERIC, default='x'),
+            value_spec=AttributeSpec(data_type=DataTypes.NUMERIC, default='x'),
             description='Title text',
             cif_handler=CifHandler(names=['_proj.title']),
         )
 
 
 def test_numeric_descriptor_str_includes_units():
-    from easydiffraction.core.parameters import NumericDescriptor
     from easydiffraction.core.validation import AttributeSpec
-    from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import NumericDescriptor
     from easydiffraction.io.cif.handler import CifHandler
 
     d = NumericDescriptor(
         name='w',
-        value_spec=AttributeSpec(value=1.23, type_=DataTypes.NUMERIC, default=0.0),
+        value_spec=AttributeSpec(default=1.23),
         units='deg',
         cif_handler=CifHandler(names=['_x.w']),
     )
@@ -44,17 +43,17 @@ def test_numeric_descriptor_str_includes_units():
 
 
 def test_parameter_string_repr_and_as_cif_and_flags():
-    from easydiffraction.core.parameters import Parameter
     from easydiffraction.core.validation import AttributeSpec
-    from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import Parameter
     from easydiffraction.io.cif.handler import CifHandler
 
     p = Parameter(
         name='a',
-        value_spec=AttributeSpec(value=2.5, type_=DataTypes.NUMERIC, default=0.0),
+        value_spec=AttributeSpec(default=0.0),
         units='A',
         cif_handler=CifHandler(names=['_param.a']),
     )
+    p.value = 2.5
     # Update extra attributes
     p.uncertainty = 0.1
     p.free = True
@@ -63,21 +62,20 @@ def test_parameter_string_repr_and_as_cif_and_flags():
     assert '± 0.1' in s and 'A' in s and '(free=True)' in s
 
     # CIF line is `<tag> <value>`
-    assert p.as_cif == '_param.a   2.5000'
+    assert p.as_cif == '_param.a   2.50000000'
 
     # CifHandler uid is owner's unique_name (parameter name here)
     assert p._cif_handler.uid == p.unique_name == 'a'
 
 
 def test_parameter_uncertainty_must_be_non_negative():
-    from easydiffraction.core.parameters import Parameter
     from easydiffraction.core.validation import AttributeSpec
-    from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import Parameter
     from easydiffraction.io.cif.handler import CifHandler
 
     p = Parameter(
         name='b',
-        value_spec=AttributeSpec(value=1.0, type_=DataTypes.NUMERIC, default=0.0),
+        value_spec=AttributeSpec(default=1.0),
         cif_handler=CifHandler(names=['_param.b']),
     )
     with pytest.raises(TypeError):
@@ -85,14 +83,13 @@ def test_parameter_uncertainty_must_be_non_negative():
 
 
 def test_parameter_fit_bounds_assign_and_read():
-    from easydiffraction.core.parameters import Parameter
     from easydiffraction.core.validation import AttributeSpec
-    from easydiffraction.core.validation import DataTypes
+    from easydiffraction.core.variable import Parameter
     from easydiffraction.io.cif.handler import CifHandler
 
     p = Parameter(
         name='c',
-        value_spec=AttributeSpec(value=0.0, type_=DataTypes.NUMERIC, default=0.0),
+        value_spec=AttributeSpec(default=0.0),
         cif_handler=CifHandler(names=['_param.c']),
     )
     p.fit_min = -1.0
diff --git a/tests/unit/easydiffraction/core/test_singletons.py b/tests/unit/easydiffraction/core/test_singletons.py
index d2f8fa3a..ba69f07a 100644
--- a/tests/unit/easydiffraction/core/test_singletons.py
+++ b/tests/unit/easydiffraction/core/test_singletons.py
@@ -1,11 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import pytest
 
 
 def test_uid_map_handler_rejects_non_descriptor():
-    from easydiffraction.core.singletons import UidMapHandler
+    from easydiffraction.core.singleton import UidMapHandler
 
     h = UidMapHandler.get()
     with pytest.raises(TypeError):
diff --git a/tests/unit/easydiffraction/core/test_validation.py b/tests/unit/easydiffraction/core/test_validation.py
index 64150f33..3bbd0ac3 100644
--- a/tests/unit/easydiffraction/core/test_validation.py
+++ b/tests/unit/easydiffraction/core/test_validation.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.core.validation as MUT
 
@@ -9,7 +10,7 @@ def test_module_import():
     assert expected_module_name == actual_module_name
 
 
-def test_type_validator_accepts_and_rejects(monkeypatch):
+def test_data_type_validator_accepts_and_rejects(monkeypatch):
     from easydiffraction.core.validation import AttributeSpec
     from easydiffraction.core.validation import DataTypes
     from easydiffraction.utils.logging import log
@@ -17,7 +18,7 @@ def test_type_validator_accepts_and_rejects(monkeypatch):
     # So that errors do not raise in test process
     log.configure(reaction=log.Reaction.WARN)
 
-    spec = AttributeSpec(type_=DataTypes.STRING, default='abc')
+    spec = AttributeSpec(data_type=DataTypes.STRING, default='abc')
     # valid
     expected = 'xyz'
     actual = spec.validated('xyz', name='p')
@@ -36,7 +37,7 @@ def test_range_validator_bounds(monkeypatch):
 
     log.configure(reaction=log.Reaction.WARN)
     spec = AttributeSpec(
-        type_=DataTypes.NUMERIC, default=1.0, content_validator=RangeValidator(ge=0, le=2)
+        data_type=DataTypes.NUMERIC, default=1.0, validator=RangeValidator(ge=0, le=2)
     )
     # inside range
     expected = 1.5
@@ -55,11 +56,11 @@ def test_membership_and_regex_validators(monkeypatch):
     from easydiffraction.utils.logging import log
 
     log.configure(reaction=log.Reaction.WARN)
-    mspec = AttributeSpec(default='b', content_validator=MembershipValidator(['a', 'b']))
+    mspec = AttributeSpec(default='b', validator=MembershipValidator(['a', 'b']))
     assert mspec.validated('a', name='m') == 'a'
     # reject -> fallback default
     assert mspec.validated('c', name='m') == 'b'
 
-    rspec = AttributeSpec(default='a1', content_validator=RegexValidator(r'^[a-z]\d$'))
+    rspec = AttributeSpec(default='a1', validator=RegexValidator(r'^[a-z]\d$'))
     assert rspec.validated('b2', name='r') == 'b2'
     assert rspec.validated('BAD', name='r') == 'a1'
diff --git a/tests/unit/easydiffraction/crystallography/test_crystallography.py b/tests/unit/easydiffraction/crystallography/test_crystallography.py
index 3c2bf7df..73e1a134 100644
--- a/tests/unit/easydiffraction/crystallography/test_crystallography.py
+++ b/tests/unit/easydiffraction/crystallography/test_crystallography.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.crystallography.crystallography as MUT
 
diff --git a/tests/unit/easydiffraction/crystallography/test_space_groups.py b/tests/unit/easydiffraction/crystallography/test_space_groups.py
index 5629f633..dd1482cd 100644
--- a/tests/unit/easydiffraction/crystallography/test_space_groups.py
+++ b/tests/unit/easydiffraction/crystallography/test_space_groups.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.crystallography.space_groups as MUT
 
diff --git a/tests/unit/easydiffraction/experiments/categories/background/test_base.py b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_base.py
similarity index 72%
rename from tests/unit/easydiffraction/experiments/categories/background/test_base.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/background/test_base.py
index 57f1bfeb..88049e83 100644
--- a/tests/unit/easydiffraction/experiments/categories/background/test_base.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_base.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -7,23 +7,30 @@
 def test_background_base_minimal_impl_and_collection_cif():
     from easydiffraction.core.category import CategoryItem
     from easydiffraction.core.collection import CollectionBase
-    from easydiffraction.core.parameters import Parameter
     from easydiffraction.core.validation import AttributeSpec
     from easydiffraction.core.validation import DataTypes
-    from easydiffraction.experiments.categories.background.base import BackgroundBase
+    from easydiffraction.core.variable import Parameter
+    from easydiffraction.datablocks.experiment.categories.background.base import BackgroundBase
     from easydiffraction.io.cif.handler import CifHandler
 
     class ConstantBackground(CategoryItem):
-        def __init__(self, name: str, value: float):
-            # CategoryItem doesn't define __init__; call GuardedBase via super()
+        def __init__(self):
             super().__init__()
             self._identity.category_code = 'background'
-            self._identity.category_entry_name = name
             self._level = Parameter(
                 name='level',
-                value_spec=AttributeSpec(value=value, type_=DataTypes.NUMERIC, default=0.0),
+                value_spec=AttributeSpec(data_type=DataTypes.NUMERIC, default=0.0),
                 cif_handler=CifHandler(names=['_bkg.level']),
             )
+            self._identity.category_entry_name = lambda: str(self._level.value)
+
+        @property
+        def level(self):
+            return self._level
+
+        @level.setter
+        def level(self, value):
+            self._level.value = value
 
         def calculate(self, x_data):
             return np.full_like(np.asarray(x_data), fill_value=self._level.value, dtype=float)
@@ -48,9 +55,10 @@ def show(self) -> None:  # pragma: no cover - trivial
             return None
 
     coll = BackgroundCollection()
-    a = ConstantBackground('a', 1.0)
-    coll.add('a', 1.0)
-    coll.add('b', 2.0)
+    a = ConstantBackground()
+    a.level = 1.0
+    coll.create(level=1.0)
+    coll.create(level=2.0)
 
     # calculate sums two backgrounds externally (out of scope), here just verify item.calculate
     x = np.array([0.0, 1.0, 2.0])
diff --git a/tests/unit/easydiffraction/experiments/categories/background/test_chebyshev.py b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_chebyshev.py
similarity index 69%
rename from tests/unit/easydiffraction/experiments/categories/background/test_chebyshev.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/background/test_chebyshev.py
index d2de6aa7..d10a3c40 100644
--- a/tests/unit/easydiffraction/experiments/categories/background/test_chebyshev.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_chebyshev.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -7,14 +7,14 @@
 def test_chebyshev_background_calculate_and_cif():
     from types import SimpleNamespace
 
-    from easydiffraction.experiments.categories.background.chebyshev import (
+    from easydiffraction.datablocks.experiment.categories.background.chebyshev import (
         ChebyshevPolynomialBackground,
     )
 
     # Create mock parent with data
     x = np.linspace(0.0, 1.0, 5)
     mock_data = SimpleNamespace(x=x, _bkg=None)
-    mock_data._set_bkg = lambda y: setattr(mock_data, '_bkg', y)
+    mock_data._set_intensity_bkg = lambda y: setattr(mock_data, '_bkg', y)
     mock_parent = SimpleNamespace(data=mock_data)
 
     cb = ChebyshevPolynomialBackground()
@@ -25,7 +25,7 @@ def test_chebyshev_background_calculate_and_cif():
     assert np.allclose(mock_data._bkg, 0.0)
 
     # Add two terms and verify CIF contains expected tags
-    cb.add(order=0, coef=1.0)
-    cb.add(order=1, coef=0.5)
+    cb.create(order=0, coef=1.0)
+    cb.create(order=1, coef=0.5)
     cif = cb.as_cif
     assert '_pd_background.Chebyshev_order' in cif and '_pd_background.Chebyshev_coef' in cif
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_enums.py b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_enums.py
new file mode 100644
index 00000000..b37a22e6
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_enums.py
@@ -0,0 +1,17 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_background_type_info():
+    from easydiffraction.datablocks.experiment.categories.background.chebyshev import (
+        ChebyshevPolynomialBackground,
+    )
+    from easydiffraction.datablocks.experiment.categories.background.line_segment import (
+        LineSegmentBackground,
+    )
+
+    assert LineSegmentBackground.type_info.tag == 'line-segment'
+    assert LineSegmentBackground.type_info.description == 'Linear interpolation between points'
+
+    assert ChebyshevPolynomialBackground.type_info.tag == 'chebyshev'
+    assert ChebyshevPolynomialBackground.type_info.description == 'Chebyshev polynomial background'
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_factory.py b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_factory.py
new file mode 100644
index 00000000..09679489
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_factory.py
@@ -0,0 +1,22 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import pytest
+
+
+def test_background_factory_default_and_errors():
+    from easydiffraction.datablocks.experiment.categories.background.factory import (
+        BackgroundFactory,
+    )
+
+    # Default via default_tag()
+    obj = BackgroundFactory.create(BackgroundFactory.default_tag())
+    assert obj.__class__.__name__.endswith('LineSegmentBackground')
+
+    # Explicit type by tag
+    obj2 = BackgroundFactory.create('chebyshev')
+    assert obj2.__class__.__name__.endswith('ChebyshevPolynomialBackground')
+
+    # Unsupported tag should raise ValueError
+    with pytest.raises(ValueError):
+        BackgroundFactory.create('nonexistent')
diff --git a/tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_line_segment.py
similarity index 72%
rename from tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/background/test_line_segment.py
index 483873db..ff231943 100644
--- a/tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/background/test_line_segment.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -7,14 +7,14 @@
 def test_line_segment_background_calculate_and_cif():
     from types import SimpleNamespace
 
-    from easydiffraction.experiments.categories.background.line_segment import (
+    from easydiffraction.datablocks.experiment.categories.background.line_segment import (
         LineSegmentBackground,
     )
 
     # Create mock parent with data
     x = np.array([0.0, 1.0, 2.0])
     mock_data = SimpleNamespace(x=x, _bkg=None)
-    mock_data._set_bkg = lambda y: setattr(mock_data, '_bkg', y)
+    mock_data._set_intensity_bkg = lambda y: setattr(mock_data, '_bkg', y)
     mock_parent = SimpleNamespace(data=mock_data)
 
     bkg = LineSegmentBackground()
@@ -25,8 +25,8 @@ def test_line_segment_background_calculate_and_cif():
     assert np.allclose(mock_data._bkg, [0.0, 0.0, 0.0])
 
     # Add two points -> linear interpolation
-    bkg.add(id='1', x=0.0, y=0.0)
-    bkg.add(id='2', x=2.0, y=4.0)
+    bkg.create(id='1', x=0.0, y=0.0)
+    bkg.create(id='2', x=2.0, y=4.0)
     bkg._update()
     assert np.allclose(mock_data._bkg, [0.0, 2.0, 4.0])
 
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_bragg_pd.py b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_bragg_pd.py
new file mode 100644
index 00000000..1a3f233c
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_bragg_pd.py
@@ -0,0 +1,144 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import numpy as np
+
+
+def test_pd_cwl_data_point_defaults():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdCwlDataPoint
+
+    pt = PdCwlDataPoint()
+    assert pt.point_id.value == '0'
+    assert pt.d_spacing.value == 0.0
+    assert pt.two_theta.value == 0.0
+    assert pt.intensity_meas.value == 0.0
+    assert pt.intensity_meas_su.value == 1.0
+    assert pt.intensity_calc.value == 0.0
+    assert pt.intensity_bkg.value == 0.0
+    assert pt.calc_status.value == 'incl'
+    assert pt._identity.category_code == 'pd_data'
+
+
+def test_pd_tof_data_point_defaults():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdTofDataPoint
+
+    pt = PdTofDataPoint()
+    assert pt.point_id.value == '0'
+    assert pt.d_spacing.value == 0.0
+    assert pt.time_of_flight.value == 0.0
+    assert pt.intensity_meas.value == 0.0
+    assert pt.intensity_meas_su.value == 1.0
+    assert pt.intensity_calc.value == 0.0
+    assert pt.intensity_bkg.value == 0.0
+    assert pt.calc_status.value == 'incl'
+    assert pt._identity.category_code == 'pd_data'
+
+
+def test_pd_cwl_data_collection_create_and_properties():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdCwlData
+
+    coll = PdCwlData()
+
+    # Create items with x-coordinate (two_theta) values
+    x_vals = np.array([10.0, 20.0, 30.0])
+    coll._create_items_set_xcoord_and_id(x_vals)
+
+    assert len(coll._items) == 3
+
+    # Check two_theta property (returns calc items only, all included)
+    np.testing.assert_array_almost_equal(coll.two_theta, x_vals)
+
+    # Check x is alias for two_theta
+    np.testing.assert_array_almost_equal(coll.x, coll.two_theta)
+
+    # Check unfiltered_x returns all items
+    np.testing.assert_array_almost_equal(coll.unfiltered_x, x_vals)
+
+    # Set and read measured intensities
+    meas = np.array([100.0, 200.0, 300.0])
+    coll._set_intensity_meas(meas)
+    np.testing.assert_array_almost_equal(coll.intensity_meas, meas)
+
+    # Set and read standard uncertainties
+    su = np.array([10.0, 20.0, 30.0])
+    coll._set_intensity_meas_su(su)
+    np.testing.assert_array_almost_equal(coll.intensity_meas_su, su)
+
+    # Check point IDs are set
+    assert coll._items[0].point_id.value == '1'
+    assert coll._items[1].point_id.value == '2'
+    assert coll._items[2].point_id.value == '3'
+
+
+def test_pd_tof_data_collection_create_and_properties():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdTofData
+
+    coll = PdTofData()
+
+    # Create items with x-coordinate (time_of_flight) values
+    x_vals = np.array([1000.0, 2000.0, 3000.0])
+    coll._create_items_set_xcoord_and_id(x_vals)
+
+    assert len(coll._items) == 3
+
+    # Check time_of_flight property
+    np.testing.assert_array_almost_equal(coll.time_of_flight, x_vals)
+
+    # Check x is alias for time_of_flight
+    np.testing.assert_array_almost_equal(coll.x, coll.time_of_flight)
+
+    # Check unfiltered_x returns all items
+    np.testing.assert_array_almost_equal(coll.unfiltered_x, x_vals)
+
+    # Check point IDs are set
+    assert coll._items[0].point_id.value == '1'
+    assert coll._items[2].point_id.value == '3'
+
+
+def test_pd_data_calc_status_exclusion():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdCwlData
+
+    coll = PdCwlData()
+
+    x_vals = np.array([10.0, 20.0, 30.0, 40.0])
+    coll._create_items_set_xcoord_and_id(x_vals)
+    coll._set_intensity_meas(np.array([100.0, 200.0, 300.0, 400.0]))
+    coll._set_intensity_meas_su(np.array([10.0, 20.0, 30.0, 40.0]))
+
+    # Exclude the second and third points
+    coll._set_calc_status([True, False, False, True])
+
+    # calc_status should reflect the change
+    assert np.array_equal(coll.calc_status, np.array(['incl', 'excl', 'excl', 'incl']))
+
+    # x should only return included points
+    np.testing.assert_array_almost_equal(coll.x, np.array([10.0, 40.0]))
+
+    # intensity_meas should only return included points
+    np.testing.assert_array_almost_equal(coll.intensity_meas, np.array([100.0, 400.0]))
+
+
+def test_pd_cwl_data_type_info():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdCwlData
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdTofData
+
+    assert PdCwlData.type_info.tag == 'bragg-pd'
+    assert PdCwlData.type_info.description == 'Bragg powder CWL data'
+
+    assert PdTofData.type_info.tag == 'bragg-pd-tof'
+    assert PdTofData.type_info.description == 'Bragg powder TOF data'
+
+
+def test_pd_data_intensity_meas_su_zero_replacement():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_pd import PdCwlData
+
+    coll = PdCwlData()
+    x_vals = np.array([10.0, 20.0, 30.0])
+    coll._create_items_set_xcoord_and_id(x_vals)
+
+    # Set su with near-zero values — those should be replaced by 1.0
+    coll._set_intensity_meas_su(np.array([0.0, 0.00001, 5.0]))
+    su = coll.intensity_meas_su
+    assert su[0] == 1.0  # replaced
+    assert su[1] == 1.0  # replaced
+    assert su[2] == 5.0  # kept
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_bragg_sc.py b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_bragg_sc.py
new file mode 100644
index 00000000..534fd192
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_bragg_sc.py
@@ -0,0 +1,92 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import numpy as np
+
+
+def test_refln_data_point_defaults():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_sc import Refln
+
+    pt = Refln()
+    assert pt.id.value == '0'
+    assert pt.d_spacing.value == 0.0
+    assert pt.sin_theta_over_lambda.value == 0.0
+    assert pt.index_h.value == 0.0
+    assert pt.index_k.value == 0.0
+    assert pt.index_l.value == 0.0
+    assert pt.intensity_meas.value == 0.0
+    assert pt.intensity_meas_su.value == 0.0
+    assert pt.intensity_calc.value == 0.0
+    assert pt.wavelength.value == 0.0
+    assert pt._identity.category_code == 'refln'
+
+
+def test_refln_data_collection_create_and_properties():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_sc import ReflnData
+
+    coll = ReflnData()
+
+    # Create items with hkl
+    h = np.array([1.0, 2.0, 0.0])
+    k = np.array([0.0, 1.0, 0.0])
+    l = np.array([0.0, 0.0, 2.0])
+    coll._create_items_set_hkl_and_id(h, k, l)
+
+    assert len(coll._items) == 3
+
+    # Check hkl arrays
+    np.testing.assert_array_almost_equal(coll.index_h, h)
+    np.testing.assert_array_almost_equal(coll.index_k, k)
+    np.testing.assert_array_almost_equal(coll.index_l, l)
+
+    # Check IDs are sequential
+    assert coll._items[0].id.value == '1'
+    assert coll._items[1].id.value == '2'
+    assert coll._items[2].id.value == '3'
+
+    # Set and read measured intensities
+    meas = np.array([50.0, 100.0, 150.0])
+    coll._set_intensity_meas(meas)
+    np.testing.assert_array_almost_equal(coll.intensity_meas, meas)
+
+    # Set and read su
+    su = np.array([5.0, 10.0, 15.0])
+    coll._set_intensity_meas_su(su)
+    np.testing.assert_array_almost_equal(coll.intensity_meas_su, su)
+
+    # Set wavelength
+    wl = np.array([0.84, 0.84, 0.84])
+    coll._set_wavelength(wl)
+    np.testing.assert_array_almost_equal(coll.wavelength, wl)
+
+    # Set and read calculated intensities
+    calc = np.array([48.0, 102.0, 148.0])
+    coll._set_intensity_calc(calc)
+    np.testing.assert_array_almost_equal(coll.intensity_calc, calc)
+
+
+def test_refln_data_d_spacing_and_stol():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_sc import ReflnData
+
+    coll = ReflnData()
+    h = np.array([1.0, 2.0])
+    k = np.array([0.0, 0.0])
+    l = np.array([0.0, 0.0])
+    coll._create_items_set_hkl_and_id(h, k, l)
+
+    # Set d-spacing
+    d = np.array([5.43, 2.715])
+    coll._set_d_spacing(d)
+    np.testing.assert_array_almost_equal(coll.d_spacing, d)
+
+    # Set sin(theta)/lambda
+    stol = np.array([0.092, 0.184])
+    coll._set_sin_theta_over_lambda(stol)
+    np.testing.assert_array_almost_equal(coll.sin_theta_over_lambda, stol)
+
+
+def test_refln_data_type_info():
+    from easydiffraction.datablocks.experiment.categories.data.bragg_sc import ReflnData
+
+    assert ReflnData.type_info.tag == 'bragg-sc'
+    assert ReflnData.type_info.description == 'Bragg single-crystal reflection data'
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_factory.py b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_factory.py
new file mode 100644
index 00000000..6f52cdff
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_factory.py
@@ -0,0 +1,85 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import pytest
+
+
+def test_data_factory_default_and_errors():
+    # Ensure concrete classes are registered
+    from easydiffraction.datablocks.experiment.categories.data import bragg_pd  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data import bragg_sc  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data import total_pd  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+
+    # Explicit type by tag
+    obj = DataFactory.create('bragg-pd')
+    assert obj.__class__.__name__ == 'PdCwlData'
+
+    # Explicit type by tag
+    obj2 = DataFactory.create('bragg-pd-tof')
+    assert obj2.__class__.__name__ == 'PdTofData'
+
+    obj3 = DataFactory.create('bragg-sc')
+    assert obj3.__class__.__name__ == 'ReflnData'
+
+    obj4 = DataFactory.create('total-pd')
+    assert obj4.__class__.__name__ == 'TotalData'
+
+    # Unsupported tag should raise ValueError
+    with pytest.raises(ValueError):
+        DataFactory.create('nonexistent')
+
+
+def test_data_factory_default_tag_resolution():
+    # Ensure concrete classes are registered
+    from easydiffraction.datablocks.experiment.categories.data import bragg_pd  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data import bragg_sc  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data import total_pd  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+    # Context-dependent default: Bragg powder CWL
+    tag = DataFactory.default_tag(
+        sample_form=SampleFormEnum.POWDER,
+        scattering_type=ScatteringTypeEnum.BRAGG,
+        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH,
+    )
+    assert tag == 'bragg-pd'
+
+    # Context-dependent default: Bragg powder TOF
+    tag = DataFactory.default_tag(
+        sample_form=SampleFormEnum.POWDER,
+        scattering_type=ScatteringTypeEnum.BRAGG,
+        beam_mode=BeamModeEnum.TIME_OF_FLIGHT,
+    )
+    assert tag == 'bragg-pd-tof'
+
+    # Context-dependent default: total scattering
+    tag = DataFactory.default_tag(
+        sample_form=SampleFormEnum.POWDER,
+        scattering_type=ScatteringTypeEnum.TOTAL,
+    )
+    assert tag == 'total-pd'
+
+    # Context-dependent default: single crystal
+    tag = DataFactory.default_tag(
+        sample_form=SampleFormEnum.SINGLE_CRYSTAL,
+        scattering_type=ScatteringTypeEnum.BRAGG,
+    )
+    assert tag == 'bragg-sc'
+
+
+def test_data_factory_supported_tags():
+    # Ensure concrete classes are registered
+    from easydiffraction.datablocks.experiment.categories.data import bragg_pd  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data import bragg_sc  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data import total_pd  # noqa: F401
+    from easydiffraction.datablocks.experiment.categories.data.factory import DataFactory
+
+    tags = DataFactory.supported_tags()
+    assert 'bragg-pd' in tags
+    assert 'bragg-pd-tof' in tags
+    assert 'bragg-sc' in tags
+    assert 'total-pd' in tags
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_total_pd.py b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_total_pd.py
new file mode 100644
index 00000000..41e638e5
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/data/test_total_pd.py
@@ -0,0 +1,91 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import numpy as np
+
+
+def test_total_data_point_defaults():
+    from easydiffraction.datablocks.experiment.categories.data.total_pd import TotalDataPoint
+
+    pt = TotalDataPoint()
+    assert pt.point_id.value == '0'
+    assert pt.r.value == 0.0
+    assert pt.g_r_meas.value == 0.0
+    assert pt.g_r_meas_su.value == 0.0
+    assert pt.g_r_calc.value == 0.0
+    assert pt.calc_status.value == 'incl'
+    assert pt._identity.category_code == 'total_data'
+
+
+def test_total_data_collection_create_and_properties():
+    from easydiffraction.datablocks.experiment.categories.data.total_pd import TotalData
+
+    coll = TotalData()
+
+    # Create items with r values
+    r_vals = np.array([1.0, 2.0, 3.0, 4.0])
+    coll._create_items_set_xcoord_and_id(r_vals)
+
+    assert len(coll._items) == 4
+
+    # Check x property (returns calc items, all included)
+    np.testing.assert_array_almost_equal(coll.x, r_vals)
+
+    # Check unfiltered_x returns all items
+    np.testing.assert_array_almost_equal(coll.unfiltered_x, r_vals)
+
+    # Set and read measured G(r)
+    g_meas = np.array([0.1, 0.5, 0.3, 0.2])
+    coll._set_g_r_meas(g_meas)
+    np.testing.assert_array_almost_equal(coll.intensity_meas, g_meas)
+
+    # Set and read su
+    g_su = np.array([0.01, 0.05, 0.03, 0.02])
+    coll._set_g_r_meas_su(g_su)
+    np.testing.assert_array_almost_equal(coll.intensity_meas_su, g_su)
+
+    # Point IDs
+    assert coll._items[0].point_id.value == '1'
+    assert coll._items[3].point_id.value == '4'
+
+
+def test_total_data_calc_status_and_exclusion():
+    from easydiffraction.datablocks.experiment.categories.data.total_pd import TotalData
+
+    coll = TotalData()
+    r_vals = np.array([1.0, 2.0, 3.0, 4.0])
+    coll._create_items_set_xcoord_and_id(r_vals)
+    coll._set_g_r_meas(np.array([0.1, 0.5, 0.3, 0.2]))
+
+    # Exclude the second and third points
+    coll._set_calc_status([True, False, False, True])
+
+    assert np.array_equal(coll.calc_status, np.array(['incl', 'excl', 'excl', 'incl']))
+
+    # x should only return included points
+    np.testing.assert_array_almost_equal(coll.x, np.array([1.0, 4.0]))
+
+    # intensity_meas should only return included points
+    np.testing.assert_array_almost_equal(coll.intensity_meas, np.array([0.1, 0.2]))
+
+
+def test_total_data_intensity_bkg_always_zero():
+    from easydiffraction.datablocks.experiment.categories.data.total_pd import TotalData
+
+    coll = TotalData()
+    r_vals = np.array([1.0, 2.0, 3.0])
+    coll._create_items_set_xcoord_and_id(r_vals)
+
+    # Set calc G(r) so intensity_calc is non-empty
+    coll._set_g_r_calc(np.array([0.5, 0.6, 0.7]))
+
+    # Background should always be zeros
+    bkg = coll.intensity_bkg
+    np.testing.assert_array_almost_equal(bkg, np.zeros(3))
+
+
+def test_total_data_type_info():
+    from easydiffraction.datablocks.experiment.categories.data.total_pd import TotalData
+
+    assert TotalData.type_info.tag == 'total-pd'
+    assert TotalData.type_info.description == 'Total scattering (PDF) data'
diff --git a/tests/unit/easydiffraction/experiments/categories/instrument/test_base.py b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_base.py
similarity index 57%
rename from tests/unit/easydiffraction/experiments/categories/instrument/test_base.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_base.py
index 047d314b..38bcb8c7 100644
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_base.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_base.py
@@ -1,8 +1,9 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_instrument_base_sets_category_code():
-    from easydiffraction.experiments.categories.instrument.base import InstrumentBase
+    from easydiffraction.datablocks.experiment.categories.instrument.base import InstrumentBase
 
     class DummyInstr(InstrumentBase):
         def __init__(self):
diff --git a/tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py
similarity index 54%
rename from tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py
index dcefa62e..0816f6e7 100644
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py
@@ -1,11 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.categories.instrument.cwl import CwlInstrument
+from easydiffraction.datablocks.experiment.categories.instrument.cwl import CwlPdInstrument
 
 
 def test_cwl_instrument_parameters_settable():
-    instr = CwlInstrument()
+    instr = CwlPdInstrument()
     instr.setup_wavelength = 2.0
     instr.calib_twotheta_offset = 0.1
     assert instr.setup_wavelength.value == 2.0
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_factory.py b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_factory.py
new file mode 100644
index 00000000..04117aa9
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_factory.py
@@ -0,0 +1,37 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import pytest
+
+
+def test_instrument_factory_default_and_errors():
+    try:
+        from easydiffraction.datablocks.experiment.categories.instrument.factory import (
+            InstrumentFactory,
+        )
+        from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+        from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    except ImportError as e:  # pragma: no cover - environment-specific circular import
+        pytest.skip(f'InstrumentFactory import triggers circular import in this context: {e}')
+        return
+
+    # By tag
+    inst = InstrumentFactory.create('cwl-pd')
+    assert inst.__class__.__name__ == 'CwlPdInstrument'
+
+    # By tag
+    inst2 = InstrumentFactory.create('cwl-pd')
+    assert inst2.__class__.__name__ == 'CwlPdInstrument'
+    inst3 = InstrumentFactory.create('tof-pd')
+    assert inst3.__class__.__name__ == 'TofPdInstrument'
+
+    # Context-dependent default
+    tag = InstrumentFactory.default_tag(
+        beam_mode=BeamModeEnum.TIME_OF_FLIGHT,
+        sample_form=SampleFormEnum.POWDER,
+    )
+    assert tag == 'tof-pd'
+
+    # Invalid tag
+    with pytest.raises(ValueError):
+        InstrumentFactory.create('nonexistent')
diff --git a/tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_tof.py
similarity index 86%
rename from tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_tof.py
index 2d4e48b1..bfd6cc12 100644
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_tof.py
@@ -1,13 +1,13 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
 
 
 def test_tof_instrument_defaults_and_setters_and_parameters_and_cif():
-    from easydiffraction.experiments.categories.instrument.tof import TofInstrument
+    from easydiffraction.datablocks.experiment.categories.instrument.tof import TofPdInstrument
 
-    inst = TofInstrument()
+    inst = TofPdInstrument()
 
     # Defaults
     assert np.isclose(inst.setup_twotheta_bank.value, 150.0)
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_base.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_base.py
similarity index 56%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_base.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_base.py
index 737c7e17..229fc734 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_base.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_base.py
@@ -1,7 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.categories.peak.base import PeakBase
+from easydiffraction.datablocks.experiment.categories.peak.base import PeakBase
 
 
 def test_peak_base_identity_code():
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_cwl.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_cwl.py
similarity index 72%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_cwl.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_cwl.py
index b3b16d4e..d941afe9 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_cwl.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_cwl.py
@@ -1,10 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_cwl_peak_classes_expose_expected_parameters_and_category():
-    from easydiffraction.experiments.categories.peak.cwl import CwlPseudoVoigt
-    from easydiffraction.experiments.categories.peak.cwl import CwlSplitPseudoVoigt
-    from easydiffraction.experiments.categories.peak.cwl import CwlThompsonCoxHastings
+    from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlPseudoVoigt
+    from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlSplitPseudoVoigt
+    from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlThompsonCoxHastings
 
     pv = CwlPseudoVoigt()
     spv = CwlSplitPseudoVoigt()
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_cwl_mixins.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_cwl_mixins.py
similarity index 65%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_cwl_mixins.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_cwl_mixins.py
index ffde4deb..19026f50 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_cwl_mixins.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_cwl_mixins.py
@@ -1,14 +1,14 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.categories.peak.cwl import CwlPseudoVoigt
-from easydiffraction.experiments.categories.peak.cwl import CwlSplitPseudoVoigt
-from easydiffraction.experiments.categories.peak.cwl import CwlThompsonCoxHastings
+from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlPseudoVoigt
+from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlSplitPseudoVoigt
+from easydiffraction.datablocks.experiment.categories.peak.cwl import CwlThompsonCoxHastings
 
 
 def test_cwl_pseudo_voigt_params_exist_and_settable():
     peak = CwlPseudoVoigt()
-    # Created by _add_constant_wavelength_broadening
+    # CwlBroadening parameters
     assert peak.broad_gauss_u.name == 'broad_gauss_u'
     peak.broad_gauss_u = 0.123
     assert peak.broad_gauss_u.value == 0.123
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_factory.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_factory.py
new file mode 100644
index 00000000..4b0ccd35
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_factory.py
@@ -0,0 +1,54 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import pytest
+
+
+def test_peak_factory_default_and_combinations_and_errors():
+    from easydiffraction.datablocks.experiment.categories.peak.factory import PeakFactory
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+    # Explicit valid combos by tag
+    p = PeakFactory.create('pseudo-voigt')
+    assert p._identity.category_code == 'peak'
+
+    # Explicit valid combos by tag
+    p1 = PeakFactory.create('pseudo-voigt')
+    assert p1.__class__.__name__ == 'CwlPseudoVoigt'
+
+    p2 = PeakFactory.create('pseudo-voigt * ikeda-carpenter')
+    assert p2.__class__.__name__ == 'TofPseudoVoigtIkedaCarpenter'
+
+    p3 = PeakFactory.create('gaussian-damped-sinc')
+    assert p3.__class__.__name__ == 'TotalGaussianDampedSinc'
+
+    # Context-dependent defaults
+    tag_bragg_cwl = PeakFactory.default_tag(
+        scattering_type=ScatteringTypeEnum.BRAGG,
+        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH,
+    )
+    assert tag_bragg_cwl == 'pseudo-voigt'
+
+    tag_bragg_tof = PeakFactory.default_tag(
+        scattering_type=ScatteringTypeEnum.BRAGG,
+        beam_mode=BeamModeEnum.TIME_OF_FLIGHT,
+    )
+    assert tag_bragg_tof == 'pseudo-voigt * ikeda-carpenter'
+
+    tag_total = PeakFactory.default_tag(
+        scattering_type=ScatteringTypeEnum.TOTAL,
+    )
+    assert tag_total == 'gaussian-damped-sinc'
+
+    # supported_for filtering
+    cwl_profiles = PeakFactory.supported_for(
+        scattering_type=ScatteringTypeEnum.BRAGG,
+        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH,
+    )
+    assert len(cwl_profiles) == 3
+    assert all(k.type_info.tag for k in cwl_profiles)
+
+    # Invalid tag
+    with pytest.raises(ValueError):
+        PeakFactory.create('nonexistent-profile')
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_tof.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_tof.py
similarity index 62%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_tof.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_tof.py
index 0ace3beb..78e25d52 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_tof.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_tof.py
@@ -1,9 +1,9 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.categories.peak.tof import TofPseudoVoigt
-from easydiffraction.experiments.categories.peak.tof import TofPseudoVoigtBackToBack
-from easydiffraction.experiments.categories.peak.tof import TofPseudoVoigtIkedaCarpenter
+from easydiffraction.datablocks.experiment.categories.peak.tof import TofPseudoVoigt
+from easydiffraction.datablocks.experiment.categories.peak.tof import TofPseudoVoigtBackToBack
+from easydiffraction.datablocks.experiment.categories.peak.tof import TofPseudoVoigtIkedaCarpenter
 
 
 def test_tof_pseudo_voigt_has_broadening_params():
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_tof_mixins.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_tof_mixins.py
similarity index 58%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_tof_mixins.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_tof_mixins.py
index c54fdc93..c2f114a0 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_tof_mixins.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_tof_mixins.py
@@ -1,19 +1,23 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
 
 
 def test_tof_broadening_and_asymmetry_mixins():
-    from easydiffraction.experiments.categories.peak.base import PeakBase
-    from easydiffraction.experiments.categories.peak.tof_mixins import IkedaCarpenterAsymmetryMixin
-    from easydiffraction.experiments.categories.peak.tof_mixins import TofBroadeningMixin
+    from easydiffraction.datablocks.experiment.categories.peak.base import PeakBase
+    from easydiffraction.datablocks.experiment.categories.peak.tof_mixins import (
+        IkedaCarpenterAsymmetryMixin,
+    )
+    from easydiffraction.datablocks.experiment.categories.peak.tof_mixins import TofBroadeningMixin
 
-    class TofPeak(PeakBase, TofBroadeningMixin, IkedaCarpenterAsymmetryMixin):
+    class TofPeak(
+        PeakBase,
+        TofBroadeningMixin,
+        IkedaCarpenterAsymmetryMixin,
+    ):
         def __init__(self):
             super().__init__()
-            self._add_time_of_flight_broadening()
-            self._add_ikeda_carpenter_asymmetry()
 
     p = TofPeak()
     names = {param.name for param in p.parameters}
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_total.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_total.py
similarity index 82%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_total.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_total.py
index 7529d875..46a6497b 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_total.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_total.py
@@ -1,11 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
 
 
 def test_total_gaussian_damped_sinc_parameters_and_setters():
-    from easydiffraction.experiments.categories.peak.total import TotalGaussianDampedSinc
+    from easydiffraction.datablocks.experiment.categories.peak.total import TotalGaussianDampedSinc
 
     p = TotalGaussianDampedSinc()
     assert p._identity.category_code == 'peak'
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_total_mixins.py b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_total_mixins.py
similarity index 57%
rename from tests/unit/easydiffraction/experiments/categories/peak/test_total_mixins.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_total_mixins.py
index 475ab781..c3534847 100644
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_total_mixins.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/peak/test_total_mixins.py
@@ -1,7 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.categories.peak.total import TotalGaussianDampedSinc
+from easydiffraction.datablocks.experiment.categories.peak.total import TotalGaussianDampedSinc
 
 
 def test_total_gaussian_damped_sinc_params():
diff --git a/tests/unit/easydiffraction/experiments/categories/test_excluded_regions.py b/tests/unit/easydiffraction/datablocks/experiment/categories/test_excluded_regions.py
similarity index 83%
rename from tests/unit/easydiffraction/experiments/categories/test_excluded_regions.py
rename to tests/unit/easydiffraction/datablocks/experiment/categories/test_excluded_regions.py
index 7aa3e833..8f34b8de 100644
--- a/tests/unit/easydiffraction/experiments/categories/test_excluded_regions.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/test_excluded_regions.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -7,14 +7,14 @@
 def test_excluded_regions_add_updates_datastore_and_cif():
     from types import SimpleNamespace
 
-    from easydiffraction.experiments.categories.excluded_regions import ExcludedRegions
+    from easydiffraction.datablocks.experiment.categories.excluded_regions import ExcludedRegions
 
     # Minimal fake datastore
     full_x = np.array([0.0, 1.0, 2.0, 3.0])
     full_meas = np.array([10.0, 11.0, 12.0, 13.0])
     full_meas_su = np.array([1.0, 1.0, 1.0, 1.0])
     ds = SimpleNamespace(
-        all_x=full_x,  # ExcludedRegions._update uses all_x not full_x
+        unfiltered_x=full_x,
         full_x=full_x,
         full_meas=full_meas,
         full_meas_su=full_meas_su,
@@ -23,7 +23,7 @@ def test_excluded_regions_add_updates_datastore_and_cif():
         meas=full_meas.copy(),
         meas_su=full_meas_su.copy(),
     )
-    
+
     def set_calc_status(status):
         # _set_calc_status sets excluded to the inverse
         ds.excluded = ~status
@@ -31,14 +31,14 @@ def set_calc_status(status):
         ds.x = ds.full_x[status]
         ds.meas = ds.full_meas[status]
         ds.meas_su = ds.full_meas_su[status]
-    
+
     ds._set_calc_status = set_calc_status
 
     coll = ExcludedRegions()
     # stitch in a parent with data
     object.__setattr__(coll, '_parent', SimpleNamespace(data=ds))
 
-    coll.add(start=1.0, end=2.0)
+    coll.create(start=1.0, end=2.0)
     # Call _update() to apply exclusions
     coll._update()
 
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/test_experiment_type.py b/tests/unit/easydiffraction/datablocks/experiment/categories/test_experiment_type.py
new file mode 100644
index 00000000..9190071e
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/test_experiment_type.py
@@ -0,0 +1,37 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_module_import():
+    import easydiffraction.datablocks.experiment.categories.experiment_type as MUT
+
+    expected_module_name = 'easydiffraction.datablocks.experiment.categories.experiment_type'
+    actual_module_name = MUT.__name__
+    assert expected_module_name == actual_module_name
+
+
+def test_experiment_type_properties_and_validation(monkeypatch):
+    from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+    from easydiffraction.utils.logging import log
+
+    log.configure(reaction=log.Reaction.WARN)
+
+    et = ExperimentType()
+    et._set_sample_form(SampleFormEnum.POWDER.value)
+    et._set_beam_mode(BeamModeEnum.CONSTANT_WAVELENGTH.value)
+    et._set_radiation_probe(RadiationProbeEnum.NEUTRON.value)
+    et._set_scattering_type(ScatteringTypeEnum.BRAGG.value)
+
+    # getters nominal
+    assert et.sample_form.value == SampleFormEnum.POWDER.value
+    assert et.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH.value
+    assert et.radiation_probe.value == RadiationProbeEnum.NEUTRON.value
+    assert et.scattering_type.value == ScatteringTypeEnum.BRAGG.value
+
+    # public setters are blocked (read-only properties via GuardedBase)
+    et.sample_form = 'single crystal'
+    assert et.sample_form.value == SampleFormEnum.POWDER.value
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/test_extinction.py b/tests/unit/easydiffraction/datablocks/experiment/categories/test_extinction.py
new file mode 100644
index 00000000..dcee6f6e
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/test_extinction.py
@@ -0,0 +1,76 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_module_import():
+    import easydiffraction.datablocks.experiment.categories.extinction.shelx as MUT
+
+    expected_module_name = 'easydiffraction.datablocks.experiment.categories.extinction.shelx'
+    actual_module_name = MUT.__name__
+    assert expected_module_name == actual_module_name
+
+
+def test_extinction_defaults():
+    from easydiffraction.datablocks.experiment.categories.extinction.shelx import ShelxExtinction
+
+    ext = ShelxExtinction()
+    assert ext.mosaicity.value == 1.0
+    assert ext.radius.value == 1.0
+    assert ext._identity.category_code == 'extinction'
+
+
+def test_extinction_property_setters():
+    from easydiffraction.datablocks.experiment.categories.extinction.shelx import ShelxExtinction
+
+    ext = ShelxExtinction()
+
+    ext.mosaicity = 0.5
+    assert ext.mosaicity.value == 0.5
+
+    ext.radius = 10.0
+    assert ext.radius.value == 10.0
+
+
+def test_extinction_cif_handler_names():
+    from easydiffraction.datablocks.experiment.categories.extinction.shelx import ShelxExtinction
+
+    ext = ShelxExtinction()
+
+    mosaicity_cif_names = ext._mosaicity._cif_handler.names
+    assert '_extinction.mosaicity' in mosaicity_cif_names
+
+    radius_cif_names = ext._radius._cif_handler.names
+    assert '_extinction.radius' in radius_cif_names
+
+
+def test_extinction_type_info():
+    from easydiffraction.datablocks.experiment.categories.extinction.shelx import ShelxExtinction
+
+    assert ShelxExtinction.type_info.tag == 'shelx'
+    assert ShelxExtinction.type_info.description != ''
+
+
+def test_extinction_factory_registration():
+    from easydiffraction.datablocks.experiment.categories.extinction.factory import (
+        ExtinctionFactory,
+    )
+
+    assert 'shelx' in ExtinctionFactory.supported_tags()
+
+
+def test_extinction_factory_create():
+    from easydiffraction.datablocks.experiment.categories.extinction.factory import (
+        ExtinctionFactory,
+    )
+    from easydiffraction.datablocks.experiment.categories.extinction.shelx import ShelxExtinction
+
+    ext = ExtinctionFactory.create('shelx')
+    assert isinstance(ext, ShelxExtinction)
+
+
+def test_extinction_factory_default_tag():
+    from easydiffraction.datablocks.experiment.categories.extinction.factory import (
+        ExtinctionFactory,
+    )
+
+    assert ExtinctionFactory.default_tag() == 'shelx'
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/test_linked_crystal.py b/tests/unit/easydiffraction/datablocks/experiment/categories/test_linked_crystal.py
new file mode 100644
index 00000000..69f96e7b
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/test_linked_crystal.py
@@ -0,0 +1,88 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_module_import():
+    import easydiffraction.datablocks.experiment.categories.linked_crystal.default as MUT
+
+    expected_module_name = (
+        'easydiffraction.datablocks.experiment.categories.linked_crystal.default'
+    )
+    actual_module_name = MUT.__name__
+    assert expected_module_name == actual_module_name
+
+
+def test_linked_crystal_defaults():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.default import (
+        LinkedCrystal,
+    )
+
+    lc = LinkedCrystal()
+    assert lc.id.value == 'Si'
+    assert lc.scale.value == 1.0
+    assert lc._identity.category_code == 'linked_crystal'
+
+
+def test_linked_crystal_property_setters():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.default import (
+        LinkedCrystal,
+    )
+
+    lc = LinkedCrystal()
+
+    lc.id = 'Ge'
+    assert lc.id.value == 'Ge'
+
+    lc.scale = 2.5
+    assert lc.scale.value == 2.5
+
+
+def test_linked_crystal_cif_handler_names():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.default import (
+        LinkedCrystal,
+    )
+
+    lc = LinkedCrystal()
+
+    id_cif_names = lc._id._cif_handler.names
+    assert '_sc_crystal_block.id' in id_cif_names
+
+    scale_cif_names = lc._scale._cif_handler.names
+    assert '_sc_crystal_block.scale' in scale_cif_names
+
+
+def test_linked_crystal_type_info():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.default import (
+        LinkedCrystal,
+    )
+
+    assert LinkedCrystal.type_info.tag == 'default'
+    assert LinkedCrystal.type_info.description != ''
+
+
+def test_linked_crystal_factory_registration():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.factory import (
+        LinkedCrystalFactory,
+    )
+
+    assert 'default' in LinkedCrystalFactory.supported_tags()
+
+
+def test_linked_crystal_factory_create():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.default import (
+        LinkedCrystal,
+    )
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.factory import (
+        LinkedCrystalFactory,
+    )
+
+    lc = LinkedCrystalFactory.create('default')
+    assert isinstance(lc, LinkedCrystal)
+
+
+def test_linked_crystal_factory_default_tag():
+    from easydiffraction.datablocks.experiment.categories.linked_crystal.factory import (
+        LinkedCrystalFactory,
+    )
+
+    assert LinkedCrystalFactory.default_tag() == 'default'
diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/test_linked_phases.py b/tests/unit/easydiffraction/datablocks/experiment/categories/test_linked_phases.py
new file mode 100644
index 00000000..3b4b9fa7
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/test_linked_phases.py
@@ -0,0 +1,19 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_linked_phases_add_and_cif_headers():
+    from easydiffraction.datablocks.experiment.categories.linked_phases import LinkedPhase
+    from easydiffraction.datablocks.experiment.categories.linked_phases import LinkedPhases
+
+    lp = LinkedPhase()
+    lp.id = 'Si'
+    lp.scale = 2.0
+    assert lp.id.value == 'Si' and lp.scale.value == 2.0
+
+    coll = LinkedPhases()
+    coll.create(id='Si', scale=2.0)
+
+    # CIF loop header presence
+    cif = coll.as_cif
+    assert 'loop_' in cif and '_pd_phase_block.id' in cif and '_pd_phase_block.scale' in cif
diff --git a/tests/unit/easydiffraction/datablocks/experiment/item/test_base.py b/tests/unit/easydiffraction/datablocks/experiment/item/test_base.py
new file mode 100644
index 00000000..b666374a
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/item/test_base.py
@@ -0,0 +1,38 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_module_import():
+    import easydiffraction.datablocks.experiment.item.base as MUT
+
+    expected_module_name = 'easydiffraction.datablocks.experiment.item.base'
+    actual_module_name = MUT.__name__
+    assert expected_module_name == actual_module_name
+
+
+def test_pd_experiment_peak_profile_type_switch(capsys):
+    from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+    from easydiffraction.datablocks.experiment.item.base import PdExperimentBase
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+    class ConcretePd(PdExperimentBase):
+        def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+            return 0
+
+    et = ExperimentType()
+    et._set_sample_form(SampleFormEnum.POWDER.value)
+    et._set_beam_mode(BeamModeEnum.CONSTANT_WAVELENGTH.value)
+    et._set_radiation_probe(RadiationProbeEnum.NEUTRON.value)
+    et._set_scattering_type(ScatteringTypeEnum.BRAGG.value)
+
+    ex = ConcretePd(name='ex1', type=et)
+    # valid switch using tag string
+    ex.peak_profile_type = 'pseudo-voigt'
+    assert ex.peak_profile_type == 'pseudo-voigt'
+    # invalid string should warn and keep previous
+    ex.peak_profile_type = 'non-existent'
+    captured = capsys.readouterr().out
+    assert 'Unsupported' in captured or 'Unknown' in captured
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py b/tests/unit/easydiffraction/datablocks/experiment/item/test_bragg_pd.py
similarity index 58%
rename from tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py
rename to tests/unit/easydiffraction/datablocks/experiment/item/test_bragg_pd.py
index f070d4fd..89c763dc 100644
--- a/tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/item/test_bragg_pd.py
@@ -1,39 +1,39 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
 import pytest
 
-from easydiffraction.experiments.categories.background.enums import BackgroundTypeEnum
-from easydiffraction.experiments.categories.experiment_type import ExperimentType
-from easydiffraction.experiments.experiment.bragg_pd import BraggPdExperiment
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-from easydiffraction.experiments.experiment.enums import SampleFormEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
+from easydiffraction.datablocks.experiment.categories.background.factory import BackgroundFactory
+from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+from easydiffraction.datablocks.experiment.item.bragg_pd import BraggPdExperiment
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
 
 
 def _mk_type_powder_cwl_bragg():
-    return ExperimentType(
-        sample_form=SampleFormEnum.POWDER.value,
-        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
-        radiation_probe=RadiationProbeEnum.NEUTRON.value,
-        scattering_type=ScatteringTypeEnum.BRAGG.value,
-    )
+    et = ExperimentType()
+    et._set_sample_form(SampleFormEnum.POWDER.value)
+    et._set_beam_mode(BeamModeEnum.CONSTANT_WAVELENGTH.value)
+    et._set_radiation_probe(RadiationProbeEnum.NEUTRON.value)
+    et._set_scattering_type(ScatteringTypeEnum.BRAGG.value)
+    return et
 
 
 def test_background_defaults_and_change():
     expt = BraggPdExperiment(name='e1', type=_mk_type_powder_cwl_bragg())
     # default background type
-    assert expt.background_type == BackgroundTypeEnum.default()
+    assert expt.background_type == BackgroundFactory.default_tag()
 
     # change to a supported type
-    expt.background_type = BackgroundTypeEnum.CHEBYSHEV
-    assert expt.background_type == BackgroundTypeEnum.CHEBYSHEV
+    expt.background_type = 'chebyshev'
+    assert expt.background_type == 'chebyshev'
 
     # unknown type keeps previous type and prints warnings (no raise)
     expt.background_type = 'not-a-type'  # invalid string
-    assert expt.background_type == BackgroundTypeEnum.CHEBYSHEV
+    assert expt.background_type == 'chebyshev'
 
 
 def test_load_ascii_data_rounds_and_defaults_sy(tmp_path: pytest.TempPathFactory):
@@ -53,7 +53,7 @@ def test_load_ascii_data_rounds_and_defaults_sy(tmp_path: pytest.TempPathFactory
     # sy = sqrt(y) with values < 1e-4 replaced by 1.0
     expected_sy = np.sqrt(y)
     expected_sy = np.where(expected_sy < 1e-4, 1.0, expected_sy)
-    assert np.allclose(expt.data.meas_su, expected_sy)
+    assert np.allclose(expt.data.intensity_meas_su, expected_sy)
     # Check that data array shapes match
     assert len(expt.data.x) == len(x)
 
@@ -64,7 +64,7 @@ def test_load_ascii_data_rounds_and_defaults_sy(tmp_path: pytest.TempPathFactory
     np.savetxt(p3, data3)
     expt._load_ascii_data_to_experiment(str(p3))
     expected_sy3 = np.where(sy < 1e-4, 1.0, sy)
-    assert np.allclose(expt.data.meas_su, expected_sy3)
+    assert np.allclose(expt.data.intensity_meas_su, expected_sy3)
 
     # Case 3: invalid shape -> currently triggers an exception (IndexError on shape[1])
     pinv = tmp_path / 'invalid.dat'
diff --git a/tests/unit/easydiffraction/datablocks/experiment/item/test_bragg_sc.py b/tests/unit/easydiffraction/datablocks/experiment/item/test_bragg_sc.py
new file mode 100644
index 00000000..014f65fe
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/item/test_bragg_sc.py
@@ -0,0 +1,36 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import pytest
+
+from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+from easydiffraction.datablocks.experiment.item.bragg_sc import CwlScExperiment
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.utils.logging import Logger
+
+
+def _mk_type_sc_bragg():
+    et = ExperimentType()
+    et._set_sample_form(SampleFormEnum.SINGLE_CRYSTAL.value)
+    et._set_beam_mode(BeamModeEnum.CONSTANT_WAVELENGTH.value)
+    et._set_radiation_probe(RadiationProbeEnum.NEUTRON.value)
+    et._set_scattering_type(ScatteringTypeEnum.BRAGG.value)
+    return et
+
+
+class _ConcreteCwlSc(CwlScExperiment):
+    def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+        # Not used in this test
+        return 0
+
+
+def test_init_and_placeholder_no_crash(monkeypatch: pytest.MonkeyPatch):
+    # Prevent logger from raising on attribute errors inside __init__
+    monkeypatch.setattr(Logger, '_reaction', Logger.Reaction.WARN, raising=True)
+    expt = _ConcreteCwlSc(name='sc1', type=_mk_type_sc_bragg())
+    # Verify that experiment was created successfully with expected properties
+    assert expt.name == 'sc1'
+    assert expt.type is not None
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_enums.py b/tests/unit/easydiffraction/datablocks/experiment/item/test_enums.py
similarity index 61%
rename from tests/unit/easydiffraction/experiments/experiment/test_enums.py
rename to tests/unit/easydiffraction/datablocks/experiment/item/test_enums.py
index 2df2dbb5..983f991b 100644
--- a/tests/unit/easydiffraction/experiments/experiment/test_enums.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/item/test_enums.py
@@ -1,16 +1,17 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
-    import easydiffraction.experiments.experiment.enums as MUT
+    import easydiffraction.datablocks.experiment.item.enums as MUT
 
-    expected_module_name = 'easydiffraction.experiments.experiment.enums'
+    expected_module_name = 'easydiffraction.datablocks.experiment.item.enums'
     actual_module_name = MUT.__name__
     assert expected_module_name == actual_module_name
 
 
 def test_default_enums_consistency():
-    import easydiffraction.experiments.experiment.enums as MUT
+    import easydiffraction.datablocks.experiment.item.enums as MUT
 
     assert MUT.SampleFormEnum.default() in list(MUT.SampleFormEnum)
     assert MUT.ScatteringTypeEnum.default() in list(MUT.ScatteringTypeEnum)
diff --git a/tests/unit/easydiffraction/datablocks/experiment/item/test_factory.py b/tests/unit/easydiffraction/datablocks/experiment/item/test_factory.py
new file mode 100644
index 00000000..c185ed30
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/experiment/item/test_factory.py
@@ -0,0 +1,28 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+
+def test_module_import():
+    import easydiffraction.datablocks.experiment.item.factory as MUT
+
+    expected_module_name = 'easydiffraction.datablocks.experiment.item.factory'
+    actual_module_name = MUT.__name__
+    assert expected_module_name == actual_module_name
+
+
+def test_experiment_factory_from_scratch():
+    import easydiffraction.datablocks.experiment.item.factory as EF
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+
+    ex = EF.ExperimentFactory.from_scratch(
+        name='ex1',
+        sample_form=SampleFormEnum.POWDER.value,
+        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
+        radiation_probe=RadiationProbeEnum.NEUTRON.value,
+        scattering_type=ScatteringTypeEnum.BRAGG.value,
+    )
+    # Instance should be created (BraggPdExperiment)
+    assert hasattr(ex, 'type') and ex.type.sample_form.value == SampleFormEnum.POWDER.value
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_total_pd.py b/tests/unit/easydiffraction/datablocks/experiment/item/test_total_pd.py
similarity index 50%
rename from tests/unit/easydiffraction/experiments/experiment/test_total_pd.py
rename to tests/unit/easydiffraction/datablocks/experiment/item/test_total_pd.py
index 5a4fe416..d021dc34 100644
--- a/tests/unit/easydiffraction/experiments/experiment/test_total_pd.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/item/test_total_pd.py
@@ -1,24 +1,24 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
 import pytest
 
-from easydiffraction.experiments.categories.experiment_type import ExperimentType
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-from easydiffraction.experiments.experiment.enums import SampleFormEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-from easydiffraction.experiments.experiment.total_pd import TotalPdExperiment
+from easydiffraction.datablocks.experiment.categories.experiment_type import ExperimentType
+from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+from easydiffraction.datablocks.experiment.item.enums import RadiationProbeEnum
+from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
+from easydiffraction.datablocks.experiment.item.total_pd import TotalPdExperiment
 
 
 def _mk_type_powder_total():
-    return ExperimentType(
-        sample_form=SampleFormEnum.POWDER.value,
-        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
-        radiation_probe=RadiationProbeEnum.NEUTRON.value,
-        scattering_type=ScatteringTypeEnum.TOTAL.value,
-    )
+    et = ExperimentType()
+    et._set_sample_form(SampleFormEnum.POWDER.value)
+    et._set_beam_mode(BeamModeEnum.CONSTANT_WAVELENGTH.value)
+    et._set_radiation_probe(RadiationProbeEnum.NEUTRON.value)
+    et._set_scattering_type(ScatteringTypeEnum.TOTAL.value)
+    return et
 
 
 def test_load_ascii_data_pdf(tmp_path: pytest.TempPathFactory):
@@ -47,5 +47,5 @@ def test_load_ascii_data_pdf(tmp_path: pytest.TempPathFactory):
     # With diffpy available, load should succeed
     expt._load_ascii_data_to_experiment(str(f))
     assert np.allclose(expt.data.x, data[:, 0])
-    assert np.allclose(expt.data.meas, data[:, 1])
-    assert np.allclose(expt.data.meas_su, data[:, 2])
+    assert np.allclose(expt.data.intensity_meas, data[:, 1])
+    assert np.allclose(expt.data.intensity_meas_su, data[:, 2])
diff --git a/tests/unit/easydiffraction/experiments/test_experiments.py b/tests/unit/easydiffraction/datablocks/experiment/test_collection.py
similarity index 65%
rename from tests/unit/easydiffraction/experiments/test_experiments.py
rename to tests/unit/easydiffraction/datablocks/experiment/test_collection.py
index 89dd874e..3d5819f6 100644
--- a/tests/unit/easydiffraction/experiments/test_experiments.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/test_collection.py
@@ -1,17 +1,18 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
-    import easydiffraction.experiments.experiments as MUT
+    import easydiffraction.datablocks.experiment.collection as MUT
 
-    expected_module_name = 'easydiffraction.experiments.experiments'
+    expected_module_name = 'easydiffraction.datablocks.experiment.collection'
     actual_module_name = MUT.__name__
     assert expected_module_name == actual_module_name
 
 
 def test_experiments_show_and_remove(monkeypatch, capsys):
-    from easydiffraction.experiments.experiment.base import ExperimentBase
-    from easydiffraction.experiments.experiments import Experiments
+    from easydiffraction.datablocks.experiment.collection import Experiments
+    from easydiffraction.datablocks.experiment.item.base import ExperimentBase
 
     class DummyType:
         def __init__(self):
@@ -22,12 +23,12 @@ class DummyExp(ExperimentBase):
         def __init__(self, name='e1'):
             super().__init__(name=name, type=DummyType())
 
-        def _load_ascii_data_to_experiment(self, data_path: str) -> None:
-            pass
+        def _load_ascii_data_to_experiment(self, data_path: str) -> int:
+            return 0
 
     exps = Experiments()
-    exps.add(experiment=DummyExp('a'))
-    exps.add(experiment=DummyExp('b'))
+    exps.add(DummyExp('a'))
+    exps.add(DummyExp('b'))
     exps.show_names()
     out = capsys.readouterr().out
     assert 'Defined experiments' in out
diff --git a/tests/unit/easydiffraction/sample_models/categories/test_space_group.py b/tests/unit/easydiffraction/datablocks/structure/categories/test_space_group.py
similarity index 73%
rename from tests/unit/easydiffraction/sample_models/categories/test_space_group.py
rename to tests/unit/easydiffraction/datablocks/structure/categories/test_space_group.py
index d1a0238c..4025bd83 100644
--- a/tests/unit/easydiffraction/sample_models/categories/test_space_group.py
+++ b/tests/unit/easydiffraction/datablocks/structure/categories/test_space_group.py
@@ -1,7 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.sample_models.categories.space_group import SpaceGroup
+from easydiffraction.datablocks.structure.categories.space_group import SpaceGroup
 
 
 def test_space_group_name_updates_it_code():
diff --git a/tests/unit/easydiffraction/datablocks/structure/item/test_base.py b/tests/unit/easydiffraction/datablocks/structure/item/test_base.py
new file mode 100644
index 00000000..154d0405
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/structure/item/test_base.py
@@ -0,0 +1,12 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.structure.item.base import Structure
+
+
+def test_structure_base_str_and_properties():
+    m = Structure(name='m1')
+    m.name = 'm2'
+    assert m.name == 'm2'
+    s = str(m)
+    assert 'Structure' in s or '<' in s
diff --git a/tests/unit/easydiffraction/datablocks/structure/item/test_factory.py b/tests/unit/easydiffraction/datablocks/structure/item/test_factory.py
new file mode 100644
index 00000000..148e010a
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/structure/item/test_factory.py
@@ -0,0 +1,9 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+from easydiffraction.datablocks.structure.item.factory import StructureFactory
+
+
+def test_from_scratch():
+    m = StructureFactory.from_scratch(name='abc')
+    assert m.name == 'abc'
diff --git a/tests/unit/easydiffraction/datablocks/structure/test_collection.py b/tests/unit/easydiffraction/datablocks/structure/test_collection.py
new file mode 100644
index 00000000..4e798e20
--- /dev/null
+++ b/tests/unit/easydiffraction/datablocks/structure/test_collection.py
@@ -0,0 +1,2 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
diff --git a/tests/unit/easydiffraction/display/plotters/test_ascii.py b/tests/unit/easydiffraction/display/plotters/test_ascii.py
index 1ad07bd3..e0c04f8b 100644
--- a/tests/unit/easydiffraction/display/plotters/test_ascii.py
+++ b/tests/unit/easydiffraction/display/plotters/test_ascii.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
@@ -18,6 +18,33 @@ def test_ascii_plotter_plot_minimal(capsys):
     x = np.array([0.0, 1.0, 2.0])
     y = np.array([1.0, 2.0, 3.0])
     p = AsciiPlotter()
-    p.plot(x=x, y_series=[y], labels=['meas'], axes_labels=['x', 'y'], title='T', height=5)
+    p.plot_powder(x=x, y_series=[y], labels=['meas'], axes_labels=['x', 'y'], title='T', height=5)
     out = capsys.readouterr().out
     assert 'Displaying data for selected x-range' in out
+
+
+def test_ascii_plotter_plot_single_crystal(capsys):
+    from easydiffraction.display.plotters.ascii import AsciiPlotter
+
+    x_calc = np.array([1.0, 2.0, 3.0, 4.0, 5.0])
+    y_meas = np.array([1.1, 1.9, 3.2, 3.8, 5.1])
+    y_meas_su = np.array([0.1, 0.1, 0.1, 0.1, 0.1])
+
+    p = AsciiPlotter()
+    p.plot_single_crystal(
+        x_calc=x_calc,
+        y_meas=y_meas,
+        y_meas_su=y_meas_su,
+        axes_labels=['F²calc', 'F²meas'],
+        title='SC Test',
+        height=10,
+    )
+    out = capsys.readouterr().out
+    # Verify title and axes labels appear
+    assert 'SC Test' in out
+    assert 'F²calc' in out
+    assert 'F²meas' in out
+    # Verify scatter points are plotted (● character)
+    assert '●' in out
+    # Verify diagonal reference line (· character)
+    assert '·' in out
diff --git a/tests/unit/easydiffraction/display/plotters/test_base.py b/tests/unit/easydiffraction/display/plotters/test_base.py
index ecc241c6..b1029d2c 100644
--- a/tests/unit/easydiffraction/display/plotters/test_base.py
+++ b/tests/unit/easydiffraction/display/plotters/test_base.py
@@ -1,9 +1,8 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-import importlib
-import types
 import sys
+import types
 
 
 def test_module_import():
@@ -32,8 +31,38 @@ def test_default_engine_switches_with_notebook(monkeypatch):
 
 def test_default_axes_labels_keys_present():
     import easydiffraction.display.plotters.base as pb
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
 
-    assert (ScatteringTypeEnum.BRAGG, BeamModeEnum.CONSTANT_WAVELENGTH) in pb.DEFAULT_AXES_LABELS
-    assert (ScatteringTypeEnum.BRAGG, BeamModeEnum.TIME_OF_FLIGHT) in pb.DEFAULT_AXES_LABELS
+    # Powder Bragg
+    assert (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        pb.XAxisType.TWO_THETA,
+    ) in pb.DEFAULT_AXES_LABELS
+    assert (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        pb.XAxisType.TIME_OF_FLIGHT,
+    ) in pb.DEFAULT_AXES_LABELS
+    assert (
+        SampleFormEnum.POWDER,
+        ScatteringTypeEnum.BRAGG,
+        pb.XAxisType.D_SPACING,
+    ) in pb.DEFAULT_AXES_LABELS
+    # Single crystal Bragg
+    assert (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        pb.XAxisType.INTENSITY_CALC,
+    ) in pb.DEFAULT_AXES_LABELS
+    assert (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        pb.XAxisType.D_SPACING,
+    ) in pb.DEFAULT_AXES_LABELS
+    assert (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        pb.XAxisType.SIN_THETA_OVER_LAMBDA,
+    ) in pb.DEFAULT_AXES_LABELS
diff --git a/tests/unit/easydiffraction/display/plotters/test_plotly.py b/tests/unit/easydiffraction/display/plotters/test_plotly.py
index f0ea6a61..5a1549f0 100644
--- a/tests/unit/easydiffraction/display/plotters/test_plotly.py
+++ b/tests/unit/easydiffraction/display/plotters/test_plotly.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.display.plotters.plotly as MUT
 
@@ -66,15 +67,15 @@ def __init__(self, html):
 
     plotter = pp.PlotlyPlotter()
 
-    # Exercise _get_trace
+    # Exercise _get_powder_trace
     x = [0, 1, 2]
     y = [1, 2, 3]
-    trace = plotter._get_trace(x, y, label='calc')
+    trace = plotter._get_powder_trace(x, y, label='calc')
     assert hasattr(trace, 'kwargs')
     assert trace.kwargs['x'] == x and trace.kwargs['y'] == y
 
-    # Exercise plot (non-PyCharm, display path)
-    plotter.plot(
+    # Exercise plot_powder (non-PyCharm, display path)
+    plotter.plot_powder(
         x,
         y_series=[y],
         labels=['calc'],
@@ -85,3 +86,89 @@ def __init__(self, html):
 
     # One HTML display call expected
     assert dummy_display_calls['count'] == 1 or shown['count'] == 1
+
+
+def test_plotly_single_crystal_trace_and_plot(monkeypatch):
+    import easydiffraction.display.plotters.plotly as pp
+
+    # Arrange: force non-PyCharm branch
+    monkeypatch.setattr(pp, 'in_pycharm', lambda: False)
+
+    shown = {'count': 0}
+
+    class DummyFig:
+        def update_xaxes(self, **kwargs):
+            pass
+
+        def update_yaxes(self, **kwargs):
+            pass
+
+        def show(self, **kwargs):
+            shown['count'] += 1
+
+    class DummyScatter:
+        def __init__(self, **kwargs):
+            self.kwargs = kwargs
+
+    class DummyGO:
+        class Scatter(DummyScatter):
+            pass
+
+        class Figure(DummyFig):
+            def __init__(self, data=None, layout=None):
+                self.data = data
+                self.layout = layout
+
+        class Layout:
+            def __init__(self, **kwargs):
+                self.kwargs = kwargs
+
+    class DummyPIO:
+        @staticmethod
+        def to_html(fig, include_plotlyjs=None, full_html=None, config=None):
+            return '<div>plot</div>'
+
+    dummy_display_calls = {'count': 0}
+
+    def dummy_display(obj):
+        dummy_display_calls['count'] += 1
+
+    class DummyHTML:
+        def __init__(self, html):
+            self.html = html
+
+    monkeypatch.setattr(pp, 'go', DummyGO)
+    monkeypatch.setattr(pp, 'pio', DummyPIO)
+    monkeypatch.setattr(pp, 'display', dummy_display)
+    monkeypatch.setattr(pp, 'HTML', DummyHTML)
+
+    plotter = pp.PlotlyPlotter()
+
+    # Exercise _get_single_crystal_trace
+    x_calc = [1.0, 2.0, 3.0]
+    y_meas = [1.1, 1.9, 3.2]
+    y_meas_su = [0.1, 0.1, 0.1]
+    trace = plotter._get_single_crystal_trace(x_calc, y_meas, y_meas_su)
+    assert hasattr(trace, 'kwargs')
+    assert trace.kwargs['x'] == x_calc
+    assert trace.kwargs['y'] == y_meas
+    assert trace.kwargs['mode'] == 'markers'
+    assert 'error_y' in trace.kwargs
+
+    # Exercise _get_diagonal_shape
+    shape = plotter._get_diagonal_shape()
+    assert shape['type'] == 'line'
+    assert shape['xref'] == 'paper'
+    assert shape['yref'] == 'paper'
+
+    # Exercise plot_single_crystal
+    plotter.plot_single_crystal(
+        x_calc=x_calc,
+        y_meas=y_meas,
+        y_meas_su=y_meas_su,
+        axes_labels=['F²calc', 'F²meas'],
+        title='SC Test',
+        height=None,
+    )
+    # One display call expected
+    assert dummy_display_calls['count'] == 1 or shown['count'] == 1
diff --git a/tests/unit/easydiffraction/display/test_plotting.py b/tests/unit/easydiffraction/display/test_plotting.py
index 8210f481..be5b4239 100644
--- a/tests/unit/easydiffraction/display/test_plotting.py
+++ b/tests/unit/easydiffraction/display/test_plotting.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.display.plotting as MUT
 
@@ -53,52 +54,60 @@ def test_plotter_factory_supported_and_unsupported():
 
 
 def test_plotter_error_paths_and_filtering(capsys):
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
     from easydiffraction.display.plotting import Plotter
 
     class Ptn:
-        def __init__(self, x=None, meas=None, calc=None, d=None):
-            self.x = x
-            self.meas = meas
-            self.calc = calc
-            self.d = d if d is not None else x
+        def __init__(
+            self, two_theta=None, intensity_meas=None, intensity_calc=None, d_spacing=None
+        ):
+            self.two_theta = two_theta
+            self.intensity_meas = intensity_meas
+            self.intensity_calc = intensity_calc
+            self.d_spacing = d_spacing if d_spacing is not None else two_theta
 
     class ExptType:
         def __init__(self):
+            self.sample_form = type('SF', (), {'value': SampleFormEnum.POWDER})
             self.scattering_type = type('S', (), {'value': ScatteringTypeEnum.BRAGG})
             self.beam_mode = type('B', (), {'value': BeamModeEnum.CONSTANT_WAVELENGTH})
 
     p = Plotter()
 
     # Error paths (now log errors via console; messages are printed)
-    p.plot_meas(Ptn(x=None, meas=None), 'E', ExptType())
+    p.plot_meas(Ptn(two_theta=None, intensity_meas=None), 'E', ExptType())
     out = capsys.readouterr().out
-    assert 'No data available for experiment E' in out
+    assert 'No two_theta data available for experiment E' in out
 
-    p.plot_meas(Ptn(x=[1], meas=None), 'E', ExptType())
+    p.plot_meas(Ptn(two_theta=[1], intensity_meas=None), 'E', ExptType())
     out = capsys.readouterr().out
     assert 'No measured data available for experiment E' in out
 
-    p.plot_calc(Ptn(x=None, calc=None), 'E', ExptType())
+    p.plot_calc(Ptn(two_theta=None, intensity_calc=None), 'E', ExptType())
     out = capsys.readouterr().out
-    assert 'No data available for experiment E' in out
+    assert 'No two_theta data available for experiment E' in out
 
-    p.plot_calc(Ptn(x=[1], calc=None), 'E', ExptType())
+    p.plot_calc(Ptn(two_theta=[1], intensity_calc=None), 'E', ExptType())
     out = capsys.readouterr().out
     assert 'No calculated data available for experiment E' in out
 
-    p.plot_meas_vs_calc(Ptn(x=None), 'E', ExptType())
+    p.plot_meas_vs_calc(
+        Ptn(two_theta=None, intensity_meas=None, intensity_calc=None), 'E', ExptType()
+    )
     out = capsys.readouterr().out
-    assert 'No data available for experiment E' in out
-    p.plot_meas_vs_calc(Ptn(x=[1], meas=None, calc=[1]), 'E', ExptType())
+    assert 'No measured data available for experiment E' in out
+    p.plot_meas_vs_calc(
+        Ptn(two_theta=[1], intensity_meas=None, intensity_calc=[1]), 'E', ExptType()
+    )
     out = capsys.readouterr().out
     assert 'No measured data available for experiment E' in out
-    p.plot_meas_vs_calc(Ptn(x=[1], meas=[1], calc=None), 'E', ExptType())
+    p.plot_meas_vs_calc(
+        Ptn(two_theta=[1], intensity_meas=[1], intensity_calc=None), 'E', ExptType()
+    )
     out = capsys.readouterr().out
     assert 'No calculated data available for experiment E' in out
-    # TODO: Update assertions with new logging-based error handling
-    #  in the above line and elsewhere as needed.
 
     # Filtering
     import numpy as np
@@ -113,27 +122,29 @@ def test_plotter_routes_to_ascii_plotter(monkeypatch):
     import numpy as np
 
     import easydiffraction.display.plotters.ascii as ascii_mod
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+    from easydiffraction.datablocks.experiment.item.enums import ScatteringTypeEnum
     from easydiffraction.display.plotting import Plotter
 
     called = {}
 
-    def fake_plot(self, x, y_series, labels, axes_labels, title, height=None):
+    def fake_plot_powder(self, x, y_series, labels, axes_labels, title, height=None):
         called['labels'] = tuple(labels)
         called['axes'] = tuple(axes_labels)
         called['title'] = title
 
-    monkeypatch.setattr(ascii_mod.AsciiPlotter, 'plot', fake_plot)
+    monkeypatch.setattr(ascii_mod.AsciiPlotter, 'plot_powder', fake_plot_powder)
 
     class Ptn:
         def __init__(self):
-            self.x = np.array([0.0, 1.0])
-            self.meas = np.array([1.0, 2.0])
-            self.d = self.x
+            self.two_theta = np.array([0.0, 1.0])
+            self.intensity_meas = np.array([1.0, 2.0])
+            self.d_spacing = self.two_theta
 
     class ExptType:
         def __init__(self):
+            self.sample_form = type('SF', (), {'value': SampleFormEnum.POWDER})
             self.scattering_type = type('S', (), {'value': ScatteringTypeEnum.BRAGG})
             self.beam_mode = type('B', (), {'value': BeamModeEnum.CONSTANT_WAVELENGTH})
 
diff --git a/tests/unit/easydiffraction/experiments/categories/background/test_enums.py b/tests/unit/easydiffraction/experiments/categories/background/test_enums.py
deleted file mode 100644
index 4a64fb29..00000000
--- a/tests/unit/easydiffraction/experiments/categories/background/test_enums.py
+++ /dev/null
@@ -1,11 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-def test_background_enum_default_and_descriptions():
-    import easydiffraction.experiments.categories.background.enums as MUT
-
-    assert MUT.BackgroundTypeEnum.default() == MUT.BackgroundTypeEnum.LINE_SEGMENT
-    assert (
-        MUT.BackgroundTypeEnum.LINE_SEGMENT.description() == 'Linear interpolation between points'
-    )
-    assert MUT.BackgroundTypeEnum.CHEBYSHEV.description() == 'Chebyshev polynomial background'
diff --git a/tests/unit/easydiffraction/experiments/categories/background/test_factory.py b/tests/unit/easydiffraction/experiments/categories/background/test_factory.py
deleted file mode 100644
index 57308f95..00000000
--- a/tests/unit/easydiffraction/experiments/categories/background/test_factory.py
+++ /dev/null
@@ -1,24 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-
-def test_background_factory_default_and_errors():
-    from easydiffraction.experiments.categories.background.enums import BackgroundTypeEnum
-    from easydiffraction.experiments.categories.background.factory import BackgroundFactory
-
-    # Default should produce a LineSegmentBackground
-    obj = BackgroundFactory.create()
-    assert obj.__class__.__name__.endswith('LineSegmentBackground')
-
-    # Explicit type
-    obj2 = BackgroundFactory.create(BackgroundTypeEnum.CHEBYSHEV)
-    assert obj2.__class__.__name__.endswith('ChebyshevPolynomialBackground')
-
-    # Unsupported enum (fake) should raise ValueError
-    class FakeEnum:
-        value = 'x'
-
-    with pytest.raises(ValueError):
-        BackgroundFactory.create(FakeEnum)  # type: ignore[arg-type]
diff --git a/tests/unit/easydiffraction/experiments/categories/instrument/test_factory.py b/tests/unit/easydiffraction/experiments/categories/instrument/test_factory.py
deleted file mode 100644
index 79e97077..00000000
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_factory.py
+++ /dev/null
@@ -1,37 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-
-def test_instrument_factory_default_and_errors():
-    try:
-        from easydiffraction.experiments.categories.instrument.factory import InstrumentFactory
-        from easydiffraction.experiments.experiment.enums import BeamModeEnum
-        from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-    except ImportError as e:  # pragma: no cover - environment-specific circular import
-        pytest.skip(f'InstrumentFactory import triggers circular import in this context: {e}')
-        return
-
-    inst = InstrumentFactory.create()  # defaults
-    assert inst.__class__.__name__ in {'CwlInstrument', 'TofInstrument'}
-
-    # Valid combinations
-    inst2 = InstrumentFactory.create(ScatteringTypeEnum.BRAGG, BeamModeEnum.CONSTANT_WAVELENGTH)
-    assert inst2.__class__.__name__ == 'CwlInstrument'
-    inst3 = InstrumentFactory.create(ScatteringTypeEnum.BRAGG, BeamModeEnum.TIME_OF_FLIGHT)
-    assert inst3.__class__.__name__ == 'TofInstrument'
-
-    # Invalid scattering type
-    class FakeST:
-        pass
-
-    with pytest.raises(ValueError):
-        InstrumentFactory.create(FakeST, BeamModeEnum.CONSTANT_WAVELENGTH)  # type: ignore[arg-type]
-
-    # Invalid beam mode
-    class FakeBM:
-        pass
-
-    with pytest.raises(ValueError):
-        InstrumentFactory.create(ScatteringTypeEnum.BRAGG, FakeBM)  # type: ignore[arg-type]
diff --git a/tests/unit/easydiffraction/experiments/categories/peak/test_factory.py b/tests/unit/easydiffraction/experiments/categories/peak/test_factory.py
deleted file mode 100644
index bc474949..00000000
--- a/tests/unit/easydiffraction/experiments/categories/peak/test_factory.py
+++ /dev/null
@@ -1,58 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-
-def test_peak_factory_default_and_combinations_and_errors():
-    from easydiffraction.experiments.categories.peak.factory import PeakFactory
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import PeakProfileTypeEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-
-    # Defaults -> valid object for default enums
-    p = PeakFactory.create()
-    assert p._identity.category_code == 'peak'
-
-    # Explicit valid combos
-    p1 = PeakFactory.create(
-        ScatteringTypeEnum.BRAGG,
-        BeamModeEnum.CONSTANT_WAVELENGTH,
-        PeakProfileTypeEnum.PSEUDO_VOIGT,
-    )
-    assert p1.__class__.__name__ == 'CwlPseudoVoigt'
-    p2 = PeakFactory.create(
-        ScatteringTypeEnum.BRAGG,
-        BeamModeEnum.TIME_OF_FLIGHT,
-        PeakProfileTypeEnum.PSEUDO_VOIGT_IKEDA_CARPENTER,
-    )
-    assert p2.__class__.__name__ == 'TofPseudoVoigtIkedaCarpenter'
-    p3 = PeakFactory.create(
-        ScatteringTypeEnum.TOTAL,
-        BeamModeEnum.CONSTANT_WAVELENGTH,
-        PeakProfileTypeEnum.GAUSSIAN_DAMPED_SINC,
-    )
-    assert p3.__class__.__name__ == 'TotalGaussianDampedSinc'
-
-    # Invalid scattering type
-    class FakeST:
-        pass
-
-    with pytest.raises(ValueError):
-        PeakFactory.create(
-            FakeST, BeamModeEnum.CONSTANT_WAVELENGTH, PeakProfileTypeEnum.PSEUDO_VOIGT
-        )  # type: ignore[arg-type]
-
-    # Invalid beam mode
-    class FakeBM:
-        pass
-
-    with pytest.raises(ValueError):
-        PeakFactory.create(ScatteringTypeEnum.BRAGG, FakeBM, PeakProfileTypeEnum.PSEUDO_VOIGT)  # type: ignore[arg-type]
-
-    # Invalid profile type
-    class FakePPT:
-        pass
-
-    with pytest.raises(ValueError):
-        PeakFactory.create(ScatteringTypeEnum.BRAGG, BeamModeEnum.CONSTANT_WAVELENGTH, FakePPT)  # type: ignore[arg-type]
diff --git a/tests/unit/easydiffraction/experiments/categories/test_experiment_type.py b/tests/unit/easydiffraction/experiments/categories/test_experiment_type.py
deleted file mode 100644
index 429eb419..00000000
--- a/tests/unit/easydiffraction/experiments/categories/test_experiment_type.py
+++ /dev/null
@@ -1,36 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-def test_module_import():
-    import easydiffraction.experiments.categories.experiment_type as MUT
-
-    expected_module_name = 'easydiffraction.experiments.categories.experiment_type'
-    actual_module_name = MUT.__name__
-    assert expected_module_name == actual_module_name
-
-
-def test_experiment_type_properties_and_validation(monkeypatch):
-    from easydiffraction.experiments.categories.experiment_type import ExperimentType
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-    from easydiffraction.experiments.experiment.enums import SampleFormEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-    from easydiffraction.utils.logging import log
-
-    log.configure(reaction=log.Reaction.WARN)
-
-    et = ExperimentType(
-        sample_form=SampleFormEnum.POWDER.value,
-        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
-        radiation_probe=RadiationProbeEnum.NEUTRON.value,
-        scattering_type=ScatteringTypeEnum.BRAGG.value,
-    )
-    # getters nominal
-    assert et.sample_form.value == SampleFormEnum.POWDER.value
-    assert et.beam_mode.value == BeamModeEnum.CONSTANT_WAVELENGTH.value
-    assert et.radiation_probe.value == RadiationProbeEnum.NEUTRON.value
-    assert et.scattering_type.value == ScatteringTypeEnum.BRAGG.value
-
-    # try invalid value should fall back to previous (membership validator)
-    et.sample_form = 'invalid'
-    assert et.sample_form.value == SampleFormEnum.POWDER.value
diff --git a/tests/unit/easydiffraction/experiments/categories/test_linked_phases.py b/tests/unit/easydiffraction/experiments/categories/test_linked_phases.py
deleted file mode 100644
index 2b7de53c..00000000
--- a/tests/unit/easydiffraction/experiments/categories/test_linked_phases.py
+++ /dev/null
@@ -1,16 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-def test_linked_phases_add_and_cif_headers():
-    from easydiffraction.experiments.categories.linked_phases import LinkedPhase
-    from easydiffraction.experiments.categories.linked_phases import LinkedPhases
-
-    lp = LinkedPhase(id='Si', scale=2.0)
-    assert lp.id.value == 'Si' and lp.scale.value == 2.0
-
-    coll = LinkedPhases()
-    coll.add(id='Si', scale=2.0)
-
-    # CIF loop header presence
-    cif = coll.as_cif
-    assert 'loop_' in cif and '_pd_phase_block.id' in cif and '_pd_phase_block.scale' in cif
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_base.py b/tests/unit/easydiffraction/experiments/experiment/test_base.py
deleted file mode 100644
index bd781afb..00000000
--- a/tests/unit/easydiffraction/experiments/experiment/test_base.py
+++ /dev/null
@@ -1,38 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-def test_module_import():
-    import easydiffraction.experiments.experiment.base as MUT
-
-    expected_module_name = 'easydiffraction.experiments.experiment.base'
-    actual_module_name = MUT.__name__
-    assert expected_module_name == actual_module_name
-
-
-def test_pd_experiment_peak_profile_type_switch(capsys):
-    from easydiffraction.experiments.categories.experiment_type import ExperimentType
-    from easydiffraction.experiments.experiment.base import PdExperimentBase
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import PeakProfileTypeEnum
-    from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-    from easydiffraction.experiments.experiment.enums import SampleFormEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-
-    class ConcretePd(PdExperimentBase):
-        def _load_ascii_data_to_experiment(self, data_path: str) -> None:
-            pass
-
-    et = ExperimentType(
-        sample_form=SampleFormEnum.POWDER.value,
-        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
-        radiation_probe=RadiationProbeEnum.NEUTRON.value,
-        scattering_type=ScatteringTypeEnum.BRAGG.value,
-    )
-    ex = ConcretePd(name='ex1', type=et)
-    # valid switch using enum
-    ex.peak_profile_type = PeakProfileTypeEnum.PSEUDO_VOIGT
-    assert ex.peak_profile_type == PeakProfileTypeEnum.PSEUDO_VOIGT
-    # invalid string should warn and keep previous
-    ex.peak_profile_type = 'non-existent'
-    captured = capsys.readouterr().out
-    assert 'Unsupported' in captured or 'Unknown' in captured
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_bragg_sc.py b/tests/unit/easydiffraction/experiments/experiment/test_bragg_sc.py
deleted file mode 100644
index bfbb3e0e..00000000
--- a/tests/unit/easydiffraction/experiments/experiment/test_bragg_sc.py
+++ /dev/null
@@ -1,35 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-from easydiffraction.experiments.categories.experiment_type import ExperimentType
-from easydiffraction.experiments.experiment.bragg_sc import BraggScExperiment
-from easydiffraction.experiments.experiment.enums import BeamModeEnum
-from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-from easydiffraction.experiments.experiment.enums import SampleFormEnum
-from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-from easydiffraction.utils.logging import Logger
-
-
-def _mk_type_sc_bragg():
-    return ExperimentType(
-        sample_form=SampleFormEnum.SINGLE_CRYSTAL.value,
-        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
-        radiation_probe=RadiationProbeEnum.NEUTRON.value,
-        scattering_type=ScatteringTypeEnum.BRAGG.value,
-    )
-
-
-class _ConcreteBraggSc(BraggScExperiment):
-    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
-        # Not used in this test
-        pass
-
-
-def test_init_and_placeholder_no_crash(monkeypatch: pytest.MonkeyPatch):
-    # Prevent logger from raising on attribute errors inside __init__
-    monkeypatch.setattr(Logger, '_reaction', Logger.Reaction.WARN, raising=True)
-    expt = _ConcreteBraggSc(name='sc1', type=_mk_type_sc_bragg())
-    # show_meas_chart just prints placeholder text; ensure no exception
-    expt.show_meas_chart()
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_factory.py b/tests/unit/easydiffraction/experiments/experiment/test_factory.py
deleted file mode 100644
index d7838b04..00000000
--- a/tests/unit/easydiffraction/experiments/experiment/test_factory.py
+++ /dev/null
@@ -1,35 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-
-
-def test_module_import():
-    import easydiffraction.experiments.experiment.factory as MUT
-
-    expected_module_name = 'easydiffraction.experiments.experiment.factory'
-    actual_module_name = MUT.__name__
-    assert expected_module_name == actual_module_name
-
-
-def test_experiment_factory_create_without_data_and_invalid_combo():
-    import easydiffraction.experiments.experiment.factory as EF
-    from easydiffraction.experiments.experiment.enums import BeamModeEnum
-    from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
-    from easydiffraction.experiments.experiment.enums import SampleFormEnum
-    from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
-
-    ex = EF.ExperimentFactory.create(
-        name='ex1',
-        sample_form=SampleFormEnum.POWDER.value,
-        beam_mode=BeamModeEnum.CONSTANT_WAVELENGTH.value,
-        radiation_probe=RadiationProbeEnum.NEUTRON.value,
-        scattering_type=ScatteringTypeEnum.BRAGG.value,
-    )
-    # Instance should be created (BraggPdExperiment)
-    assert hasattr(ex, 'type') and ex.type.sample_form.value == SampleFormEnum.POWDER.value
-
-    # invalid combination: unexpected key
-    with pytest.raises(ValueError):
-        EF.ExperimentFactory.create(name='ex2', unexpected=True)
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_instrument_mixin.py b/tests/unit/easydiffraction/experiments/experiment/test_instrument_mixin.py
deleted file mode 100644
index 89975b7d..00000000
--- a/tests/unit/easydiffraction/experiments/experiment/test_instrument_mixin.py
+++ /dev/null
@@ -1,9 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-def test_module_import():
-    import easydiffraction.experiments.experiment.instrument_mixin as MUT
-
-    expected_module_name = 'easydiffraction.experiments.experiment.instrument_mixin'
-    actual_module_name = MUT.__name__
-    assert expected_module_name == actual_module_name
diff --git a/tests/unit/easydiffraction/io/cif/test_handler.py b/tests/unit/easydiffraction/io/cif/test_handler.py
index ea31b833..a9c1be85 100644
--- a/tests/unit/easydiffraction/io/cif/test_handler.py
+++ b/tests/unit/easydiffraction/io/cif/test_handler.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_cif_handler_names_and_uid():
     import easydiffraction.io.cif.handler as H
 
diff --git a/tests/unit/easydiffraction/io/cif/test_serialize.py b/tests/unit/easydiffraction/io/cif/test_serialize.py
index 2cf82f31..6b92a0e4 100644
--- a/tests/unit/easydiffraction/io/cif/test_serialize.py
+++ b/tests/unit/easydiffraction/io/cif/test_serialize.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.io.cif.serialize as MUT
 
@@ -12,8 +13,8 @@ def test_module_import():
 def test_format_value_quotes_whitespace_strings():
     import easydiffraction.io.cif.serialize as MUT
 
-    assert MUT.format_value('a b') == '   "a b"'
-    assert MUT.format_value('ab') == '      ab'
+    assert MUT.format_value('a b') == '       "a b"'
+    assert MUT.format_value('ab') == '          ab'
 
 
 def test_param_to_cif_minimal():
@@ -26,7 +27,7 @@ def __init__(self):
             self.value = 3
 
     p = P()
-    assert MUT.param_to_cif(p) == '_x.y   3.0000'
+    assert MUT.param_to_cif(p) == '_x.y   3.00000000'
 
 
 def test_category_collection_to_cif_empty_and_one_row():
@@ -73,7 +74,7 @@ def as_cif(self):
     class Project:
         def __init__(self):
             self.info = Obj('I')
-            self.sample_models = None
+            self.structures = None
             self.experiments = Obj('E')
             self.analysis = None
             self.summary = None
diff --git a/tests/unit/easydiffraction/io/cif/test_serialize_more.py b/tests/unit/easydiffraction/io/cif/test_serialize_more.py
index 3c197a75..fc8ef714 100644
--- a/tests/unit/easydiffraction/io/cif/test_serialize_more.py
+++ b/tests/unit/easydiffraction/io/cif/test_serialize_more.py
@@ -1,9 +1,6 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-import numpy as np
-import pytest
-
 
 def test_datablock_item_to_cif_includes_item_and_collection():
     import easydiffraction.io.cif.serialize as MUT
@@ -112,11 +109,13 @@ def as_cif(self):
     assert '_k' in out_with and '1' in out_with
 
     out_without = MUT.experiment_to_cif(Exp(''))
-    assert out_without.startswith('data_expA') and out_without.endswith('1.0000')
+    assert out_without.startswith('data_expA') and out_without.endswith('1.00000000')
 
 
 def test_analysis_to_cif_renders_all_sections():
     import easydiffraction.io.cif.serialize as MUT
+    from easydiffraction.analysis.categories.fit_mode import FitMode
+    from easydiffraction.analysis.categories.joint_fit_experiments import JointFitExperiments
 
     class Obj:
         def __init__(self, t):
@@ -127,16 +126,14 @@ def as_cif(self):
             return self._t
 
     class A:
-        current_calculator = 'cryspy engine'
-        current_minimizer = 'lmfit (leastsq)'
-        fit_mode = 'single'
+        current_minimizer = 'lmfit'
+        fit_mode = FitMode()
+        joint_fit_experiments = JointFitExperiments()
         aliases = Obj('ALIASES')
         constraints = Obj('CONSTRAINTS')
 
     out = MUT.analysis_to_cif(A())
     lines = out.splitlines()
-    assert lines[0].startswith('_analysis.calculator_engine')
-    assert '"cryspy engine"' in lines[0]
-    assert lines[1].startswith('_analysis.fitting_engine') and '"lmfit (leastsq)"' in lines[1]
-    assert lines[2].startswith('_analysis.fit_mode') and 'single' in lines[2]
+    assert lines[0].startswith('_analysis.fitting_engine') and 'lmfit' in lines[0]
+    assert lines[1].startswith('_analysis.fit_mode') and 'single' in lines[1]
     assert 'ALIASES' in out and 'CONSTRAINTS' in out
diff --git a/tests/unit/easydiffraction/project/test_project.py b/tests/unit/easydiffraction/project/test_project.py
index 046a44f0..aedd24a8 100644
--- a/tests/unit/easydiffraction/project/test_project.py
+++ b/tests/unit/easydiffraction/project/test_project.py
@@ -1,9 +1,51 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.project.project as MUT
 
     expected_module_name = 'easydiffraction.project.project'
     actual_module_name = MUT.__name__
     assert expected_module_name == actual_module_name
+
+
+def test_project_help(capsys):
+    from easydiffraction.project.project import Project
+
+    p = Project()
+    p.help()
+    out = capsys.readouterr().out
+    assert "Help for 'Project'" in out
+    assert 'experiments' in out
+    assert 'analysis' in out
+    assert 'summary' in out
+
+
+def test_project_verbosity_default():
+    from easydiffraction.project.project import Project
+
+    p = Project()
+    assert p.verbosity == 'full'
+
+
+def test_project_verbosity_setter():
+    from easydiffraction.project.project import Project
+
+    p = Project()
+    p.verbosity = 'short'
+    assert p.verbosity == 'short'
+    p.verbosity = 'silent'
+    assert p.verbosity == 'silent'
+    p.verbosity = 'full'
+    assert p.verbosity == 'full'
+
+
+def test_project_verbosity_invalid():
+    import pytest
+
+    from easydiffraction.project.project import Project
+
+    p = Project()
+    with pytest.raises(ValueError):
+        p.verbosity = 'verbose'
diff --git a/tests/unit/easydiffraction/project/test_project_info.py b/tests/unit/easydiffraction/project/test_project_info.py
index ef8b061f..8c3455ab 100644
--- a/tests/unit/easydiffraction/project/test_project_info.py
+++ b/tests/unit/easydiffraction/project/test_project_info.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.project.project_info as MUT
 
diff --git a/tests/unit/easydiffraction/project/test_project_load_and_summary_wrap.py b/tests/unit/easydiffraction/project/test_project_load_and_summary_wrap.py
index d3e0b2d6..cdeafd35 100644
--- a/tests/unit/easydiffraction/project/test_project_load_and_summary_wrap.py
+++ b/tests/unit/easydiffraction/project/test_project_load_and_summary_wrap.py
@@ -1,16 +1,16 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_project_load_prints_and_sets_path(tmp_path, capsys):
+    import pytest
+
     from easydiffraction.project.project import Project
 
     p = Project()
     dir_path = tmp_path / 'pdir'
-    p.load(str(dir_path))
-    out = capsys.readouterr().out
-    assert 'Loading project' in out and str(dir_path) in out
-    # Path should be set on ProjectInfo
-    assert p.info.path == dir_path
+    with pytest.raises(NotImplementedError, match='not implemented yet'):
+        p.load(str(dir_path))
 
 
 def test_summary_show_project_info_wraps_description(capsys):
diff --git a/tests/unit/easydiffraction/project/test_project_save.py b/tests/unit/easydiffraction/project/test_project_save.py
index 2879f85c..ac8b9895 100644
--- a/tests/unit/easydiffraction/project/test_project_save.py
+++ b/tests/unit/easydiffraction/project/test_project_save.py
@@ -1,15 +1,16 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_project_save_uses_cwd_when_no_explicit_path(monkeypatch, tmp_path, capsys):
-    # Default ProjectInfo.path is cwd; ensure save writes into a temp cwd, not repo root
+    # ProjectInfo.path defaults to None; save() requires save_as() first
     from easydiffraction.project.project import Project
 
     monkeypatch.chdir(tmp_path)
     p = Project()
-    p.save()
+    p.save_as(str(tmp_path))
     out = capsys.readouterr().out
-    # It should announce saving and create the three core files in cwd
+    # It should announce saving and create the three core files
     assert 'Saving project' in out
     assert (tmp_path / 'project.cif').exists()
     assert (tmp_path / 'analysis.cif').exists()
@@ -35,5 +36,5 @@ def test_project_save_as_writes_core_files(tmp_path, monkeypatch):
     assert (target / 'project.cif').is_file()
     assert (target / 'analysis.cif').is_file()
     assert (target / 'summary.cif').is_file()
-    assert (target / 'sample_models').is_dir()
+    assert (target / 'structures').is_dir()
     assert (target / 'experiments').is_dir()
diff --git a/tests/unit/easydiffraction/sample_models/categories/test_atom_sites.py b/tests/unit/easydiffraction/sample_models/categories/test_atom_sites.py
deleted file mode 100644
index db4c22ed..00000000
--- a/tests/unit/easydiffraction/sample_models/categories/test_atom_sites.py
+++ /dev/null
@@ -1,28 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from easydiffraction.sample_models.categories.atom_sites import AtomSite
-from easydiffraction.sample_models.categories.atom_sites import AtomSites
-
-
-def test_atom_site_defaults_and_setters():
-    a = AtomSite(label='Si1', type_symbol='Si')
-    a.fract_x = 0.1
-    a.fract_y = 0.2
-    a.fract_z = 0.3
-    a.occupancy = 0.9
-    a.b_iso = 1.5
-    a.adp_type = 'Biso'
-    assert a.label.value == 'Si1'
-    assert a.type_symbol.value == 'Si'
-    assert (a.fract_x.value, a.fract_y.value, a.fract_z.value) == (0.1, 0.2, 0.3)
-    assert a.occupancy.value == 0.9
-    assert a.b_iso.value == 1.5
-    assert a.adp_type.value == 'Biso'
-
-
-def test_atom_sites_collection_adds_by_label():
-    sites = AtomSites()
-    sites.add(label='O1', type_symbol='O')
-    assert 'O1' in sites.names
-    assert sites['O1'].type_symbol.value == 'O'
diff --git a/tests/unit/easydiffraction/sample_models/categories/test_cell.py b/tests/unit/easydiffraction/sample_models/categories/test_cell.py
deleted file mode 100644
index 8de1da42..00000000
--- a/tests/unit/easydiffraction/sample_models/categories/test_cell.py
+++ /dev/null
@@ -1,43 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-
-def test_cell_defaults_and_overrides():
-    from easydiffraction.sample_models.categories.cell import Cell
-
-    c = Cell()
-    # Defaults from AttributeSpec in implementation
-    assert pytest.approx(c.length_a.value) == 10.0
-    assert pytest.approx(c.length_b.value) == 10.0
-    assert pytest.approx(c.length_c.value) == 10.0
-    assert pytest.approx(c.angle_alpha.value) == 90.0
-    assert pytest.approx(c.angle_beta.value) == 90.0
-    assert pytest.approx(c.angle_gamma.value) == 90.0
-
-    # Override through constructor
-    c2 = Cell(length_a=12.3, angle_beta=100.0)
-    assert pytest.approx(c2.length_a.value) == 12.3
-    assert pytest.approx(c2.angle_beta.value) == 100.0
-
-
-def test_cell_setters_apply_validation_and_units():
-    from easydiffraction.sample_models.categories.cell import Cell
-
-    c = Cell()
-    # Set valid values within range
-    c.length_a = 5.5
-    c.angle_gamma = 120.0
-    assert pytest.approx(c.length_a.value) == 5.5
-    assert pytest.approx(c.angle_gamma.value) == 120.0
-    # Check units are preserved on parameter objects
-    assert c.length_a.units == 'Å'
-    assert c.angle_gamma.units == 'deg'
-
-
-def test_cell_identity_category_code():
-    from easydiffraction.sample_models.categories.cell import Cell
-
-    c = Cell()
-    assert c._identity.category_code == 'cell'
diff --git a/tests/unit/easydiffraction/sample_models/sample_model/test_base.py b/tests/unit/easydiffraction/sample_models/sample_model/test_base.py
deleted file mode 100644
index 61c4b3db..00000000
--- a/tests/unit/easydiffraction/sample_models/sample_model/test_base.py
+++ /dev/null
@@ -1,12 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-from easydiffraction.sample_models.sample_model.base import SampleModelBase
-
-
-def test_sample_model_base_str_and_properties():
-    m = SampleModelBase(name='m1')
-    m.name = 'm2'
-    assert m.name == 'm2'
-    s = str(m)
-    assert 'SampleModelBase' in s or '<' in s
diff --git a/tests/unit/easydiffraction/sample_models/sample_model/test_factory.py b/tests/unit/easydiffraction/sample_models/sample_model/test_factory.py
deleted file mode 100644
index aa9fd9a0..00000000
--- a/tests/unit/easydiffraction/sample_models/sample_model/test_factory.py
+++ /dev/null
@@ -1,16 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-from easydiffraction.sample_models.sample_model.factory import SampleModelFactory
-
-
-def test_create_minimal_by_name():
-    m = SampleModelFactory.create(name='abc')
-    assert m.name == 'abc'
-
-
-def test_invalid_arg_combo_raises():
-    with pytest.raises(ValueError):
-        SampleModelFactory.create(name=None, cif_path=None)
diff --git a/tests/unit/easydiffraction/sample_models/test_sample_models.py b/tests/unit/easydiffraction/sample_models/test_sample_models.py
deleted file mode 100644
index eed0ea84..00000000
--- a/tests/unit/easydiffraction/sample_models/test_sample_models.py
+++ /dev/null
@@ -1,6 +0,0 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
-# SPDX-License-Identifier: BSD-3-Clause
-
-import pytest
-
-from easydiffraction.sample_models.sample_models import SampleModels
diff --git a/tests/unit/easydiffraction/summary/test_summary.py b/tests/unit/easydiffraction/summary/test_summary.py
index e6388cbf..b57b5598 100644
--- a/tests/unit/easydiffraction/summary/test_summary.py
+++ b/tests/unit/easydiffraction/summary/test_summary.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_summary_as_cif_returns_placeholder_string():
     from easydiffraction.summary.summary import Summary
 
@@ -23,11 +24,10 @@ class Info:
     class Project:
         def __init__(self):
             self.info = Info()
-            self.sample_models = {}  # empty mapping to exercise loops safely
+            self.structures = {}  # empty mapping to exercise loops safely
             self.experiments = {}  # empty mapping to exercise loops safely
 
             class A:
-                current_calculator = 'cryspy'
                 current_minimizer = 'lmfit'
 
                 class R:
@@ -47,11 +47,6 @@ class R:
     assert 'FITTING' in out
 
 
-
-
-
-
-
 def test_module_import():
     import easydiffraction.summary.summary as MUT
 
diff --git a/tests/unit/easydiffraction/summary/test_summary_details.py b/tests/unit/easydiffraction/summary/test_summary_details.py
index 8965c5ed..d0e0c97b 100644
--- a/tests/unit/easydiffraction/summary/test_summary_details.py
+++ b/tests/unit/easydiffraction/summary/test_summary_details.py
@@ -1,10 +1,11 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_summary_crystallographic_and_experimental_sections(capsys):
     from easydiffraction.summary.summary import Summary
 
-    # Build a minimal sample model stub that exposes required attributes
+    # Build a minimal structure stub that exposes required attributes
     class Val:
         def __init__(self, v):
             self.value = v
@@ -96,11 +97,10 @@ class Info:
     class Project:
         def __init__(self):
             self.info = Info()
-            self.sample_models = {'phaseA': Model()}
+            self.structures = {'phaseA': Model()}
             self.experiments = {'exp1': Expt()}
 
             class A:
-                current_calculator = 'cryspy'
                 current_minimizer = 'lmfit'
 
                 class R:
diff --git a/tests/unit/easydiffraction/test___init__.py b/tests/unit/easydiffraction/test___init__.py
index 714ffc4d..e42e801c 100644
--- a/tests/unit/easydiffraction/test___init__.py
+++ b/tests/unit/easydiffraction/test___init__.py
@@ -1,7 +1,6 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
-# Focused tests for package __init__: lazy attributes and error path
 import importlib
 from pathlib import Path
 
@@ -14,11 +13,11 @@ def test_lazy_attributes_resolve_and_are_accessible():
     # Access a few lazy attributes; just ensure they exist and are callable/class-like
     assert hasattr(ed, 'Project')
     assert hasattr(ed, 'ExperimentFactory')
-    assert hasattr(ed, 'SampleModelFactory')
+    assert hasattr(ed, 'StructureFactory')
 
     # Access utility functions from utils via lazy getattr
     assert callable(ed.show_version)
-    assert callable(ed.get_value_from_xye_header)
+    assert callable(ed.extract_metadata)
 
     # Import once to exercise __getattr__; subsequent access should be cached by Python
     _ = ed.Project
diff --git a/tests/unit/easydiffraction/test___main__.py b/tests/unit/easydiffraction/test___main__.py
index 885f73ef..76ba7cec 100644
--- a/tests/unit/easydiffraction/test___main__.py
+++ b/tests/unit/easydiffraction/test___main__.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 from typer.testing import CliRunner
diff --git a/tests/unit/easydiffraction/utils/test_enums.py b/tests/unit/easydiffraction/utils/test_enums.py
new file mode 100644
index 00000000..9d970540
--- /dev/null
+++ b/tests/unit/easydiffraction/utils/test_enums.py
@@ -0,0 +1,27 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+
+import pytest
+
+from easydiffraction.utils.enums import VerbosityEnum
+
+
+def test_verbosity_enum_members():
+    assert VerbosityEnum.FULL == 'full'
+    assert VerbosityEnum.SHORT == 'short'
+    assert VerbosityEnum.SILENT == 'silent'
+
+
+def test_verbosity_enum_from_string():
+    assert VerbosityEnum('full') is VerbosityEnum.FULL
+    assert VerbosityEnum('short') is VerbosityEnum.SHORT
+    assert VerbosityEnum('silent') is VerbosityEnum.SILENT
+
+
+def test_verbosity_enum_invalid_string():
+    with pytest.raises(ValueError):
+        VerbosityEnum('verbose')
+
+
+def test_verbosity_enum_default():
+    assert VerbosityEnum.default() is VerbosityEnum.FULL
diff --git a/tests/unit/easydiffraction/utils/test_logging.py b/tests/unit/easydiffraction/utils/test_logging.py
index 8503e178..6dd520c2 100644
--- a/tests/unit/easydiffraction/utils/test_logging.py
+++ b/tests/unit/easydiffraction/utils/test_logging.py
@@ -1,6 +1,7 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+
 def test_module_import():
     import easydiffraction.utils.logging as MUT
 
diff --git a/tests/unit/easydiffraction/utils/test_theme_detect.py b/tests/unit/easydiffraction/utils/test_theme_detect.py
index e9899fb9..c3277a0a 100644
--- a/tests/unit/easydiffraction/utils/test_theme_detect.py
+++ b/tests/unit/easydiffraction/utils/test_theme_detect.py
@@ -1,4 +1,4 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 """Unit tests for theme detection module."""
@@ -23,12 +23,7 @@ def test_dark_theme_detection(self, tmp_path: Path) -> None:
         )
 
         settings_dir = (
-            tmp_path
-            / '.jupyter'
-            / 'lab'
-            / 'user-settings'
-            / '@jupyterlab'
-            / 'apputils-extension'
+            tmp_path / '.jupyter' / 'lab' / 'user-settings' / '@jupyterlab' / 'apputils-extension'
         )
         settings_dir.mkdir(parents=True)
 
@@ -45,12 +40,7 @@ def test_light_theme_detection(self, tmp_path: Path) -> None:
         )
 
         settings_dir = (
-            tmp_path
-            / '.jupyter'
-            / 'lab'
-            / 'user-settings'
-            / '@jupyterlab'
-            / 'apputils-extension'
+            tmp_path / '.jupyter' / 'lab' / 'user-settings' / '@jupyterlab' / 'apputils-extension'
         )
         settings_dir.mkdir(parents=True)
 
@@ -76,12 +66,7 @@ def test_comments_in_settings(self, tmp_path: Path) -> None:
         )
 
         settings_dir = (
-            tmp_path
-            / '.jupyter'
-            / 'lab'
-            / 'user-settings'
-            / '@jupyterlab'
-            / 'apputils-extension'
+            tmp_path / '.jupyter' / 'lab' / 'user-settings' / '@jupyterlab' / 'apputils-extension'
         )
         settings_dir.mkdir(parents=True)
 
@@ -119,9 +104,7 @@ def test_vscode_dark_theme(self, tmp_path: Path) -> None:
         vscode_dir.mkdir()
 
         settings_file = vscode_dir / 'settings.json'
-        settings_file.write_text(
-            json.dumps({'workbench.colorTheme': 'One Dark Pro'})
-        )
+        settings_file.write_text(json.dumps({'workbench.colorTheme': 'One Dark Pro'}))
 
         with mock.patch.dict(os.environ, {'VSCODE_PID': '12345'}):
             with mock.patch.object(Path, 'cwd', return_value=tmp_path):
@@ -137,9 +120,7 @@ def test_vscode_light_theme(self, tmp_path: Path) -> None:
         vscode_dir.mkdir()
 
         settings_file = vscode_dir / 'settings.json'
-        settings_file.write_text(
-            json.dumps({'workbench.colorTheme': 'Light+ (default light)'})
-        )
+        settings_file.write_text(json.dumps({'workbench.colorTheme': 'Light+ (default light)'}))
 
         with mock.patch.dict(os.environ, {'VSCODE_PID': '12345'}):
             with mock.patch.object(Path, 'cwd', return_value=tmp_path):
@@ -160,9 +141,7 @@ def test_vscode_nls_config_dark(self) -> None:
 class TestCheckSystemPreferences:
     """Tests for _check_system_preferences function."""
 
-    @pytest.mark.skipif(
-        not os.sys.platform.startswith('darwin'), reason='macOS only test'
-    )
+    @pytest.mark.skipif(not os.sys.platform.startswith('darwin'), reason='macOS only test')
     def test_macos_dark_mode(self) -> None:
         """Test macOS dark mode detection."""
         from easydiffraction.utils._vendored.jupyter_dark_detect.detector import (
@@ -174,9 +153,7 @@ def test_macos_dark_mode(self) -> None:
             mock_run.return_value.stdout = 'Dark'
             assert _check_system_preferences() is True
 
-    @pytest.mark.skipif(
-        not os.sys.platform.startswith('darwin'), reason='macOS only test'
-    )
+    @pytest.mark.skipif(not os.sys.platform.startswith('darwin'), reason='macOS only test')
     def test_macos_light_mode(self) -> None:
         """Test macOS light mode detection."""
         from easydiffraction.utils._vendored.jupyter_dark_detect.detector import (
@@ -195,86 +172,82 @@ def test_default_to_false(self) -> None:
         """Test that is_dark defaults to False when no detection works."""
         from easydiffraction.utils._vendored.theme_detect import is_dark
 
-        with mock.patch(
-            'easydiffraction.utils._vendored.theme_detect.'
-            '_check_jupyterlab_settings',
-            return_value=None,
-        ):
-            with mock.patch(
-                'easydiffraction.utils._vendored.theme_detect.'
-                '_check_vscode_settings',
+        with (
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_jupyterlab_settings',
+                return_value=None,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_vscode_settings',
                 return_value=None,
-            ):
-                with mock.patch(
-                    'easydiffraction.utils._vendored.theme_detect.'
-                    '_check_javascript_detection',
-                    return_value=None,
-                ):
-                    with mock.patch(
-                        'easydiffraction.utils._vendored.theme_detect.'
-                        '_check_system_preferences',
-                        return_value=None,
-                    ):
-                        assert is_dark() is False
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_javascript_detection',
+                return_value=None,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_system_preferences',
+                return_value=None,
+            ),
+        ):
+            assert is_dark() is False
 
     def test_jupyterlab_priority(self) -> None:
         """Test that JupyterLab settings take priority."""
         from easydiffraction.utils._vendored.theme_detect import is_dark
 
-        with mock.patch(
-            'easydiffraction.utils._vendored.theme_detect.'
-            '_check_jupyterlab_settings',
-            return_value=True,
-        ):
-            with mock.patch(
-                'easydiffraction.utils._vendored.theme_detect.'
-                '_check_vscode_settings',
+        with (
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_jupyterlab_settings',
+                return_value=True,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_vscode_settings',
                 return_value=False,
-            ):
-                assert is_dark() is True
+            ),
+        ):
+            assert is_dark() is True
 
     def test_vscode_second_priority(self) -> None:
         """Test that VS Code settings are checked after JupyterLab."""
         from easydiffraction.utils._vendored.theme_detect import is_dark
 
-        with mock.patch(
-            'easydiffraction.utils._vendored.theme_detect.'
-            '_check_jupyterlab_settings',
-            return_value=None,
-        ):
-            with mock.patch(
-                'easydiffraction.utils._vendored.theme_detect.'
-                '_check_vscode_settings',
+        with (
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_jupyterlab_settings',
+                return_value=None,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_vscode_settings',
                 return_value=True,
-            ):
-                assert is_dark() is True
+            ),
+        ):
+            assert is_dark() is True
 
     def test_javascript_before_system(self) -> None:
         """Test that JS detection comes before system preferences."""
         from easydiffraction.utils._vendored.theme_detect import is_dark
 
-        with mock.patch(
-            'easydiffraction.utils._vendored.theme_detect.'
-            '_check_jupyterlab_settings',
-            return_value=None,
-        ):
-            with mock.patch(
-                'easydiffraction.utils._vendored.theme_detect.'
-                '_check_vscode_settings',
+        with (
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_jupyterlab_settings',
+                return_value=None,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_vscode_settings',
                 return_value=None,
-            ):
-                with mock.patch(
-                    'easydiffraction.utils._vendored.theme_detect.'
-                    '_check_javascript_detection',
-                    return_value=True,
-                ):
-                    with mock.patch(
-                        'easydiffraction.utils._vendored.theme_detect.'
-                        '_check_system_preferences',
-                        return_value=False,
-                    ):
-                        # JS detection should win over system prefs
-                        assert is_dark() is True
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_javascript_detection',
+                return_value=True,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_system_preferences',
+                return_value=False,
+            ),
+        ):
+            # JS detection should win over system prefs
+            assert is_dark() is True
 
 
 class TestGetDetectionResult:
@@ -284,37 +257,35 @@ def test_returns_dict_with_all_methods(self) -> None:
         """Test that get_detection_result returns all detection methods."""
         from easydiffraction.utils._vendored.theme_detect import get_detection_result
 
-        with mock.patch(
-            'easydiffraction.utils._vendored.theme_detect.'
-            '_check_jupyterlab_settings',
-            return_value=True,
-        ):
-            with mock.patch(
-                'easydiffraction.utils._vendored.theme_detect.'
-                '_check_vscode_settings',
+        with (
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_jupyterlab_settings',
+                return_value=True,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_vscode_settings',
+                return_value=None,
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_javascript_detection',
                 return_value=None,
-            ):
-                with mock.patch(
-                    'easydiffraction.utils._vendored.theme_detect.'
-                    '_check_javascript_detection',
-                    return_value=None,
-                ):
-                    with mock.patch(
-                        'easydiffraction.utils._vendored.theme_detect.'
-                        '_check_system_preferences',
-                        return_value=False,
-                    ):
-                        result = get_detection_result()
-
-                        assert 'jupyterlab_settings' in result
-                        assert 'vscode_settings' in result
-                        assert 'javascript_dom' in result
-                        assert 'system_preferences' in result
-
-                        assert result['jupyterlab_settings'] is True
-                        assert result['vscode_settings'] is None
-                        assert result['javascript_dom'] is None
-                        assert result['system_preferences'] is False
+            ),
+            mock.patch(
+                'easydiffraction.utils._vendored.theme_detect._check_system_preferences',
+                return_value=False,
+            ),
+        ):
+            result = get_detection_result()
+
+            assert 'jupyterlab_settings' in result
+            assert 'vscode_settings' in result
+            assert 'javascript_dom' in result
+            assert 'system_preferences' in result
+
+            assert result['jupyterlab_settings'] is True
+            assert result['vscode_settings'] is None
+            assert result['javascript_dom'] is None
+            assert result['system_preferences'] is False
 
 
 class TestImports:
diff --git a/tests/unit/easydiffraction/utils/test_utils.py b/tests/unit/easydiffraction/utils/test_utils.py
index 183178bd..ab2c9bab 100644
--- a/tests/unit/easydiffraction/utils/test_utils.py
+++ b/tests/unit/easydiffraction/utils/test_utils.py
@@ -1,11 +1,10 @@
-# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-FileCopyrightText: 2025 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
 import numpy as np
 import pytest
 
 
-
 def test_module_import():
     import easydiffraction.utils.utils as MUT
 
@@ -69,20 +68,18 @@ def test_str_to_ufloat_no_esd_defaults_nan():
     assert np.isclose(expected_value, actual_value) and np.isnan(u.std_dev)
 
 
-def test_get_value_from_xye_header(tmp_path):
-    import easydiffraction.utils.utils as MUT
+def test_extract_metadata(tmp_path):
+    import easydiffraction.io.ascii as ascii_io
 
-    text = 'DIFC = 123.45 two_theta = 67.89\nrest of file\n'
+    text = '# DIFC = 123.45 two_theta = 67.89\nrest of file\n'
     p = tmp_path / 'file.xye'
     p.write_text(text)
-    expected_difc = 123.45
-    expected_two_theta = 67.89
-    actual = np.array([
-        MUT.get_value_from_xye_header(p, 'DIFC'),
-        MUT.get_value_from_xye_header(p, 'two_theta'),
-    ])
-    expected = np.array([expected_difc, expected_two_theta])
-    assert np.allclose(expected, actual)
+    difc = ascii_io.extract_metadata(str(p), r'DIFC\s*=\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)')
+    two_theta = ascii_io.extract_metadata(
+        str(p), r'two_theta\s*=\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)'
+    )
+    assert np.isclose(difc, 123.45)
+    assert np.isclose(two_theta, 67.89)
 
 
 def test_validate_url_rejects_non_http_https():
@@ -129,6 +126,7 @@ def test_is_pycharm_and_is_colab(monkeypatch):
 
 def test_render_table_terminal_branch(capsys, monkeypatch):
     import easydiffraction.utils.utils as MUT
+
     # Ensure non-notebook rendering; on CI/default env it's terminal anyway.
     MUT.render_table(
         columns_data=[[1, 2], [3, 4]],
@@ -354,7 +352,6 @@ def __exit__(self, *args):
 
 
 def test_resolve_tutorial_url():
-    import easydiffraction.utils.utils as MUT
 
     # Test with a specific version
     url_template = 'https://example.com/{version}/tutorials/ed-1/ed-1.ipynb'
@@ -362,4 +359,3 @@ def test_resolve_tutorial_url():
     # So we just test that the function exists and replaces {version}
     result = url_template.replace('{version}', '0.8.0')
     assert result == 'https://example.com/0.8.0/tutorials/ed-1/ed-1.ipynb'
-
diff --git a/tmp/__validator.py b/tmp/__validator.py
new file mode 100644
index 00000000..359ecd1a
--- /dev/null
+++ b/tmp/__validator.py
@@ -0,0 +1,87 @@
+# %%
+import easydiffraction as ed
+import numpy as np
+
+# %%
+project = ed.Project()
+
+#
+
+project.experiments.add_from_data_path(name='aaa', data_path=23)
+
+exit()
+
+# %%
+model_path = ed.download_data(id=1, destination='data')
+project.structures.add_from_cif_path(cif_path=model_path)
+
+#project.structures.add_from_scratch(name='qwe')
+#project.structures['qwe'] = 6
+#print(project.structures['qwe'].name.value)
+#struct = project.structures['qwe']
+#struct.cell = "cell"
+#print(struct.cell)
+
+#exit()
+
+
+
+# %%
+expt_path = ed.download_data(id=2, destination='data')
+project.experiments.add_from_cif_path(cif_path=expt_path)
+#project.experiments.add_from_cif_path(cif_path=77)
+
+#expt = ed.ExperimentFactory.from_scratch(name='expt', scattering_type='total2')
+#print(expt)
+exit()
+
+print('\nStructure:')
+print(project.structures['lbco'])
+
+print('\nExperiment:')
+print(project.experiments['hrpt'])
+
+
+exit()
+
+
+
+# %%
+#sample = project.sample_models.get(id=1)
+#sample = project.sample_models.get(name='Fe2O3')
+sample = project.sample_models['lbco']
+
+# %%
+print()
+print("=== Testing cell.length_a ===")
+sample.cell.length_a = 3
+print(sample.cell.length_a, type(sample.cell.length_a.value))
+sample.cell.length_a = np.int64(4)
+print(sample.cell.length_a, type(sample.cell.length_a.value))
+sample.cell.length_a = np.float64(5.5)
+print(sample.cell.length_a, type(sample.cell.length_a.value))
+###sample.cell.length_a = "6.0"
+###sample.cell.length_a = -7.0
+###sample.cell.length_a = None
+print(sample.cell.length_a, type(sample.cell.length_a.value))
+
+# %%
+print()
+print("=== Testing space_group ===")
+sample.space_group.name_h_m = 'P n m a'
+print(sample.space_group.name_h_m)
+print(sample.space_group.it_coordinate_system_code)
+###sample.space_group.name_h_m = 'P x y z'
+print(sample.space_group.name_h_m)
+###sample.space_group.name_h_m = 4500
+print(sample.space_group.name_h_m)
+sample.space_group.it_coordinate_system_code = 'cab'
+print(sample.space_group.it_coordinate_system_code)
+
+# %%
+print()
+print("=== Testing atom_sites ===")
+sample.atom_sites.add(label2='O5', type_symbol='O')
+
+# %%
+sample.show_as_cif()
\ No newline at end of file
diff --git a/tmp/basic_single-fit_pd-neut-cwl_LBCO-HRPT.py b/tmp/basic_single-fit_pd-neut-cwl_LBCO-HRPT.py
index cf21bcc8..18db2b22 100644
--- a/tmp/basic_single-fit_pd-neut-cwl_LBCO-HRPT.py
+++ b/tmp/basic_single-fit_pd-neut-cwl_LBCO-HRPT.py
@@ -375,22 +375,22 @@
 #
 # #### Set Calculator
 #
-# Show supported calculation engines.
+# Show supported calculation engines for this experiment.
 
 # %%
-project.analysis.show_supported_calculators()
+project.experiments['hrpt'].show_supported_calculator_types()
 
 # %% [markdown]
-# Show current calculation engine.
+# Show current calculation engine for this experiment.
 
 # %%
-project.analysis.show_current_calculator()
+project.experiments['hrpt'].show_current_calculator_type()
 
 # %% [markdown]
 # Select the desired calculation engine.
 
 # %%
-project.analysis.current_calculator = 'cryspy'
+project.experiments['hrpt'].calculator_type = 'cryspy'
 
 # %% [markdown]
 # #### Show Calculated Data
@@ -435,23 +435,9 @@
 
 # %% [markdown]
 # #### Set Fit Mode
-#
-# Show supported fit modes.
-
-# %%
-project.analysis.show_available_fit_modes()
-
-# %% [markdown]
-# Show current fit mode.
-
-# %%
-project.analysis.show_current_fit_mode()
-
-# %% [markdown]
-# Select desired fit mode.
 
 # %%
-project.analysis.fit_mode = 'single'
+project.analysis.fit_mode.mode = 'single'
 
 # %% [markdown]
 # #### Set Minimizer
diff --git a/tmp/cryst-struct_pd-neut-tof_multiphase-BSFTO-HRPT.py b/tmp/cryst-struct_pd-neut-tof_multiphase-BSFTO-HRPT.py
index b4ee7e15..e7e6c1d6 100644
--- a/tmp/cryst-struct_pd-neut-tof_multiphase-BSFTO-HRPT.py
+++ b/tmp/cryst-struct_pd-neut-tof_multiphase-BSFTO-HRPT.py
@@ -220,12 +220,6 @@
 # This section outlines the analysis process, including how to configure
 # calculation and fitting engines.
 #
-# #### Set Calculator
-
-# %%
-project.analysis.current_calculator = 'cryspy'
-
-# %% [markdown]
 # #### Set Minimizer
 
 # %%
diff --git a/tmp/short7.py b/tmp/short7.py
index dfec2cd8..285704e9 100644
--- a/tmp/short7.py
+++ b/tmp/short7.py
@@ -76,7 +76,6 @@ def single_fit_neutron_pd_cwl_lbco() -> None:
     expt.show_as_cif()
 
     # Prepare for fitting
-    project.analysis.current_calculator = 'cryspy'
     project.analysis.current_minimizer = 'lmfit (leastsq)'
 
     # ------------ 1st fitting ------------
diff --git a/tmp/show_d401.py b/tmp/show_d401.py
new file mode 100644
index 00000000..8ac806fc
--- /dev/null
+++ b/tmp/show_d401.py
@@ -0,0 +1,26 @@
+files_lines = [
+    ('src/easydiffraction/analysis/calculators/crysfml.py', [108,160,205]),
+    ('src/easydiffraction/analysis/calculators/cryspy.py', [357,377]),
+    ('src/easydiffraction/analysis/calculators/pdffit.py', [61]),
+    ('src/easydiffraction/analysis/minimizers/dfols.py', [55,77]),
+    ('src/easydiffraction/analysis/minimizers/lmfit.py', [40,66,96,117,140]),
+    ('src/easydiffraction/core/singleton.py', [28,45,49,65,107,116,138]),
+    ('src/easydiffraction/core/variable.py', [386]),
+    ('src/easydiffraction/datablocks/experiment/categories/data/bragg_pd.py', [312,317,329,334,339,344,494,567]),
+    ('src/easydiffraction/datablocks/experiment/categories/data/bragg_sc.py', [268,286,291,301,308,313,318]),
+    ('src/easydiffraction/datablocks/experiment/categories/data/total_pd.py', [195,200,212,217,340]),
+    ('src/easydiffraction/project/project_info.py', [119]),
+    ('src/easydiffraction/utils/environment.py', [35,47]),
+    ('src/easydiffraction/utils/logging.py', [685]),
+    ('src/easydiffraction/utils/utils.py', [308]),
+]
+for fname, lines in files_lines:
+    with open(fname) as f:
+        content = f.readlines()
+    for ln in lines:
+        lo = max(0, ln-2)
+        hi = min(len(content), ln+2)
+        for i, l in enumerate(content[lo:hi]):
+            print(f'{fname}:{lo+i+1}: {l}', end='')
+        print('---')
+
diff --git a/tmp/show_w505.py b/tmp/show_w505.py
new file mode 100644
index 00000000..6e606803
--- /dev/null
+++ b/tmp/show_w505.py
@@ -0,0 +1,27 @@
+files_lines = [
+    ('src/easydiffraction/datablocks/experiment/categories/data/bragg_pd.py', [196,277,324,527,602]),
+    ('src/easydiffraction/datablocks/experiment/categories/data/bragg_sc.py', [29,298,422]),
+    ('src/easydiffraction/datablocks/experiment/categories/data/total_pd.py', [207]),
+    ('src/easydiffraction/datablocks/experiment/categories/experiment_type/default.py', [30]),
+    ('src/easydiffraction/datablocks/experiment/categories/extinction/shelx.py', [20]),
+    ('src/easydiffraction/datablocks/experiment/item/base.py', [71,604]),
+    ('src/easydiffraction/datablocks/experiment/item/factory.py', [78]),
+    ('src/easydiffraction/datablocks/structure/item/base.py', [248]),
+    ('src/easydiffraction/display/base.py', [144]),
+    ('src/easydiffraction/display/utils.py', [21]),
+    ('src/easydiffraction/io/cif/serialize.py', [162]),
+    ('src/easydiffraction/project/project.py', [78]),
+    ('src/easydiffraction/summary/summary.py', [208]),
+    ('src/easydiffraction/utils/logging.py', [327,478]),
+    ('src/easydiffraction/utils/utils.py', [52,73]),
+]
+for fname, lines in files_lines:
+    with open(fname) as f:
+        content = f.readlines()
+    for ln in lines:
+        lo = max(0, ln-2)
+        hi = min(len(content), ln+1)
+        for i, l in enumerate(content[lo:hi]):
+            print(f'{fname}:{lo+i+1}: {l}', end='')
+        print('---')
+
diff --git a/tools/add_assets_to_docs.sh b/tools/add_assets_to_docs.sh
deleted file mode 100755
index e13eb40a..00000000
--- a/tools/add_assets_to_docs.sh
+++ /dev/null
@@ -1,16 +0,0 @@
-echo "📥 Add files from ../assets-docs"
-cp -R ../assets-docs/docs/assets/ docs/assets/
-cp -R ../assets-docs/includes/ includes/
-cp -R ../assets-docs/overrides/ overrides/
-
-echo "📥 Add files from ../assets-branding"
-mkdir -p docs/assets/images/
-cp ../assets-branding/easydiffraction/hero/dark.png docs/assets/images/hero_dark.png
-cp ../assets-branding/easydiffraction/hero/light.png docs/assets/images/hero_light.png
-cp ../assets-branding/easydiffraction/logos/dark.svg docs/assets/images/logo_dark.svg
-cp ../assets-branding/easydiffraction/logos/light.svg docs/assets/images/logo_light.svg
-cp ../assets-branding/easydiffraction/icons/color.png docs/assets/images/favicon.png
-
-mkdir -p overrides/.icons/
-cp ../assets-branding/easydiffraction/icons/bw.svg overrides/.icons/easydiffraction.svg
-cp ../assets-branding/easyscience-org/icons/eso-icon_bw.svg overrides/.icons/easyscience.svg
diff --git a/tools/cleanup_docs.sh b/tools/cleanup_docs.sh
deleted file mode 100755
index 757ec3e4..00000000
--- a/tools/cleanup_docs.sh
+++ /dev/null
@@ -1,10 +0,0 @@
-echo "🧹 Clean up after building documentation"
-rm -rf site/
-rm -rf docs/assets/javascripts
-rm -rf docs/assets/stylesheets
-rm -rf docs/assets/images/*.png
-rm -rf docs/assets/images/*.svg
-rm -rf includes/
-rm -rf overrides/
-rm -rf docs/tutorials/*.ipynb
-rm mkdocs.yml
diff --git a/tools/convert_google_docstrings_to_numpy.py b/tools/convert_google_docstrings_to_numpy.py
new file mode 100644
index 00000000..5fcb14e2
--- /dev/null
+++ b/tools/convert_google_docstrings_to_numpy.py
@@ -0,0 +1,539 @@
+#!/usr/bin/env python3
+"""Convert Google-style Python docstrings to numpydoc style."""
+
+from __future__ import annotations
+
+import ast
+import inspect
+import re
+import sys
+import textwrap
+from pathlib import Path
+
+from docstring_parser import DocstringStyle
+from docstring_parser import compose
+from docstring_parser import parse
+from format_docstring.docstring_rewriter import calc_abs_pos
+from format_docstring.docstring_rewriter import calc_line_starts
+from format_docstring.docstring_rewriter import find_docstring
+from format_docstring.docstring_rewriter import rebuild_literal
+
+SECTION_NAMES = (
+    'Args',
+    'Arguments',
+    'Returns',
+    'Raises',
+    'Yields',
+    'Attributes',
+    'Examples',
+    'Notes',
+)
+GOOGLE_SECTION_RE = re.compile(
+    r'(?m)^(?P<indent>[ \t]*)(?P<section>'
+    + '|'.join(SECTION_NAMES)
+    + r'):\s*(?P<rest>\S.*)?$'
+)
+NUMPY_SECTION_RE = re.compile(r'(?m)^[^\n]+\n-+\n')
+SECTION_KINDS_WITH_ITEMS = {'Args', 'Arguments', 'Attributes'}
+PRESERVE_BLOCK_SECTIONS = {'Examples', 'Notes'}
+GENERIC_ITEM_SECTIONS = {'Raises', 'Returns', 'Yields'}
+GENERIC_ITEM_RE = re.compile(
+    r'(?<!\S)(?P<label>[A-Za-z_][A-Za-z0-9_\.\[\], \|\(\)]{0,80}?)\s*:'
+)
+
+
+def _iter_python_files(paths: list[Path]) -> list[Path]:
+    files: list[Path] = []
+    for path in paths:
+        if path.is_file() and path.suffix == '.py':
+            files.append(path)
+            continue
+
+        if not path.exists():
+            continue
+
+        for file_path in sorted(path.rglob('*.py')):
+            if '_vendored' in file_path.parts:
+                continue
+            if '.pixi' in file_path.parts:
+                continue
+            files.append(file_path)
+
+    return files
+
+
+def _collect_names(node: ast.AST) -> list[str]:
+    names: list[str] = []
+
+    if isinstance(node, (ast.FunctionDef, ast.AsyncFunctionDef)):
+        args = list(node.args.posonlyargs) + list(node.args.args)
+        args += list(node.args.kwonlyargs)
+        names.extend(arg.arg for arg in args)
+        if node.args.vararg is not None:
+            names.append(node.args.vararg.arg)
+        if node.args.kwarg is not None:
+            names.append(node.args.kwarg.arg)
+        return [name for name in names if name not in {'self', 'cls'}]
+
+    if isinstance(node, ast.ClassDef):
+        init_method = next(
+            (
+                stmt
+                for stmt in node.body
+                if isinstance(stmt, ast.FunctionDef) and stmt.name == '__init__'
+            ),
+            None,
+        )
+        if init_method is not None:
+            names.extend(_collect_names(init_method))
+
+        for stmt in node.body:
+            if isinstance(stmt, ast.AnnAssign) and isinstance(stmt.target, ast.Name):
+                names.append(stmt.target.id)
+            elif isinstance(stmt, ast.Assign):
+                for target in stmt.targets:
+                    if isinstance(target, ast.Name):
+                        names.append(target.id)
+
+    return list(dict.fromkeys(names))
+
+
+def _strip_blank_edges(lines: list[str]) -> list[str]:
+    start = 0
+    end = len(lines)
+    while start < end and not lines[start].strip():
+        start += 1
+    while end > start and not lines[end - 1].strip():
+        end -= 1
+    return lines[start:end]
+
+
+def _join_wrapped_lines(lines: list[str]) -> str:
+    parts: list[str] = []
+    for line in lines:
+        text = re.sub(r'\s+', ' ', line.strip())
+        if not text:
+            continue
+        if parts and parts[-1].endswith('-') and not parts[-1].endswith(' -'):
+            parts[-1] = parts[-1][:-1] + text
+        else:
+            parts.append(text)
+    return ' '.join(parts)
+
+
+def _collapse_whitespace(lines: list[str]) -> str:
+    return _join_wrapped_lines(lines)
+
+
+def _repair_named_items(block_lines: list[str], names: list[str]) -> list[str] | None:
+    flat = _collapse_whitespace(block_lines)
+    if not flat or not names:
+        return None
+
+    label_pattern = '|'.join(re.escape(name) for name in sorted(set(names), key=len, reverse=True))
+    item_re = re.compile(
+        rf'(?<!\S)(?P<label>\*{{0,2}}(?:{label_pattern})(?:\s*\([^)]*\))?)\s*:'
+    )
+    matches = list(item_re.finditer(flat))
+    if not matches or matches[0].start() != 0:
+        return None
+
+    repaired: list[str] = []
+    for index, match in enumerate(matches):
+        start = match.end()
+        end = matches[index + 1].start() if index + 1 < len(matches) else len(flat)
+        description = flat[start:end].strip()
+        repaired.append(f'    {match.group("label")}: {description}' if description else f'    {match.group("label")}:')
+    return repaired
+
+
+def _repair_generic_items(block_lines: list[str]) -> list[str] | None:
+    flat = _collapse_whitespace(block_lines)
+    if not flat:
+        return None
+
+    matches = list(GENERIC_ITEM_RE.finditer(flat))
+    if not matches or matches[0].start() != 0:
+        return None
+
+    repaired: list[str] = []
+    for index, match in enumerate(matches):
+        start = match.end()
+        end = matches[index + 1].start() if index + 1 < len(matches) else len(flat)
+        description = flat[start:end].strip()
+        repaired.append(f'    {match.group("label")}: {description}' if description else f'    {match.group("label")}:')
+    return repaired
+
+
+def _repair_section(section: str, block_lines: list[str], names: list[str]) -> list[str]:
+    stripped = _strip_blank_edges(block_lines)
+    if not stripped:
+        return []
+
+    if section in SECTION_KINDS_WITH_ITEMS:
+        flat = _collapse_whitespace(stripped).lower().rstrip('.')
+        if flat == 'none':
+            return []
+        repaired = _repair_named_items(stripped, names)
+        if repaired is not None:
+            return repaired
+
+    if section in GENERIC_ITEM_SECTIONS:
+        repaired = _repair_generic_items(stripped)
+        if repaired is not None:
+            return repaired
+
+    if section in PRESERVE_BLOCK_SECTIONS:
+        return [f'    {line}' if line else '' for line in stripped]
+
+    flat = _collapse_whitespace(stripped)
+    return [f'    {flat}'] if flat else []
+
+
+def _repair_inline_sections(docstring: str, names: list[str]) -> str:
+    cleaned = inspect.cleandoc(docstring.replace('\r\n', '\n'))
+    lines = cleaned.split('\n')
+    out: list[str] = []
+    index = 0
+
+    while index < len(lines):
+        raw_line = lines[index]
+        heading = GOOGLE_SECTION_RE.match(raw_line)
+        if heading is None:
+            out.append(raw_line.rstrip())
+            index += 1
+            continue
+
+        section = heading.group('section')
+        section_name = 'Args' if section == 'Arguments' else section
+        out.append(f'{section_name}:')
+
+        block_lines: list[str] = []
+        rest = heading.group('rest')
+        if rest:
+            block_lines.append(rest)
+
+        index += 1
+        while index < len(lines):
+            next_line = lines[index]
+            if GOOGLE_SECTION_RE.match(next_line):
+                break
+            if (
+                section_name not in PRESERVE_BLOCK_SECTIONS
+                and not next_line.strip()
+                and index + 1 < len(lines)
+                and lines[index + 1].strip()
+                and GOOGLE_SECTION_RE.match(lines[index + 1]) is None
+            ):
+                break
+            block_lines.append(next_line.rstrip())
+            index += 1
+
+        out.extend(_repair_section(section_name, block_lines, names))
+
+    return '\n'.join(out)
+
+
+def _looks_google(docstring: str) -> bool:
+    return bool(GOOGLE_SECTION_RE.search(docstring))
+
+
+def _looks_numpydoc(docstring: str) -> bool:
+    return bool(NUMPY_SECTION_RE.search(docstring))
+
+
+def _meta_kinds(parsed) -> set[str]:
+    kinds: set[str] = set()
+    for meta in parsed.meta:
+        args = getattr(meta, 'args', None) or []
+        if not args:
+            continue
+        kinds.add(str(args[0]).lower())
+    return kinds
+
+
+def _contains_unparsed_sections(parsed) -> bool:
+    for text in (parsed.short_description, parsed.long_description):
+        if text and GOOGLE_SECTION_RE.search(text):
+            return True
+    return False
+
+
+def _has_section_heading(docstring: str, section: str) -> bool:
+    return re.search(rf'(?m)^[ \t]*{re.escape(section)}:\s*(?:\S.*)?$', docstring) is not None
+
+
+def _is_safe_conversion(docstring: str, parsed) -> bool:
+    if '::' in docstring:
+        return False
+
+    kinds = _meta_kinds(parsed)
+    if _contains_unparsed_sections(parsed):
+        return False
+
+    expectations = {
+        'Args': 'param',
+        'Arguments': 'param',
+        'Attributes': 'attribute',
+        'Returns': 'returns',
+        'Raises': 'raises',
+        'Yields': 'yields',
+        'Examples': 'examples',
+    }
+    for section, expected_kind in expectations.items():
+        if _has_section_heading(docstring, section) and expected_kind not in kinds:
+            return False
+
+    return True
+
+
+def _is_section_header(lines: list[str], index: int) -> bool:
+    return index + 1 < len(lines) and bool(lines[index].strip()) and set(lines[index + 1].strip()) == {'-'}
+
+
+def _wrap_paragraph(lines: list[str], width: int, indent: str = '') -> list[str]:
+    if not lines:
+        return []
+
+    text = _join_wrapped_lines(lines)
+    if not text:
+        return [''] if lines else []
+
+    return textwrap.wrap(
+        text,
+        width=width,
+        initial_indent=indent,
+        subsequent_indent=indent,
+        break_long_words=False,
+        break_on_hyphens=False,
+    )
+
+
+def _format_freeform_block(lines: list[str], width: int = 72, indent: str = '') -> list[str]:
+    stripped = _strip_blank_edges(lines)
+    if not stripped:
+        return []
+
+    formatted: list[str] = []
+    paragraph: list[str] = []
+    for line in stripped:
+        if not line.strip():
+            if paragraph:
+                formatted.extend(_wrap_paragraph(paragraph, width=width, indent=indent))
+                paragraph = []
+            if formatted and formatted[-1] != '':
+                formatted.append('')
+            continue
+
+        content = line.strip()
+        if content.startswith(('>>>', '...')):
+            if paragraph:
+                formatted.extend(_wrap_paragraph(paragraph, width=width, indent=indent))
+                paragraph = []
+            formatted.append(f'{indent}{content}')
+            continue
+
+        paragraph.append(content)
+
+    if paragraph:
+        formatted.extend(_wrap_paragraph(paragraph, width=width, indent=indent))
+
+    return formatted
+
+
+def _format_named_section(block_lines: list[str]) -> list[str]:
+    lines = _strip_blank_edges(block_lines)
+    if not lines:
+        return []
+
+    formatted: list[str] = []
+    index = 0
+    while index < len(lines):
+        if not lines[index].strip():
+            index += 1
+            continue
+
+        header = lines[index].strip()
+        formatted.append(header)
+        index += 1
+
+        description: list[str] = []
+        while index < len(lines):
+            line = lines[index]
+            if not line.strip():
+                index += 1
+                if description:
+                    break
+                continue
+            if not line.startswith(' ') and not line.startswith('\t'):
+                break
+            description.append(line.strip())
+            index += 1
+
+        if description:
+            formatted.extend(_wrap_paragraph(description, width=68, indent='    '))
+        elif formatted and formatted[-1] != '':
+            formatted.append('')
+
+    if formatted and formatted[-1] == '':
+        formatted.pop()
+    return formatted
+
+
+def _format_return_like_section(block_lines: list[str]) -> list[str]:
+    lines = _strip_blank_edges(block_lines)
+    if not lines:
+        return []
+
+    first = next((line for line in lines if line.strip()), '')
+    if first.startswith((' ', '\t')):
+        return _format_freeform_block(lines, width=68, indent='    ')
+
+    return _format_named_section(lines)
+
+
+def _format_numpydoc_output(docstring: str) -> str:
+    lines = docstring.strip('\n').splitlines()
+    formatted: list[str] = []
+    index = 0
+
+    preamble: list[str] = []
+    while index < len(lines) and not _is_section_header(lines, index):
+        preamble.append(lines[index])
+        index += 1
+    formatted.extend(_format_freeform_block(preamble))
+
+    while index < len(lines):
+        if not _is_section_header(lines, index):
+            index += 1
+            continue
+
+        if formatted and formatted[-1] != '':
+            formatted.append('')
+        heading = lines[index].strip()
+        underline = lines[index + 1].strip()
+        formatted.extend([heading, underline])
+        index += 2
+
+        block: list[str] = []
+        while index < len(lines) and not _is_section_header(lines, index):
+            block.append(lines[index])
+            index += 1
+
+        if heading in {'Parameters', 'Attributes'}:
+            formatted.extend(_format_named_section(block))
+        elif heading in {'Returns', 'Raises', 'Yields'}:
+            formatted.extend(_format_return_like_section(block))
+        else:
+            formatted.extend(_format_freeform_block(block))
+
+    return '\n'.join(_strip_blank_edges(formatted))
+
+
+def _convert_docstring(docstring: str, names: list[str]) -> str | None:
+    cleaned = inspect.cleandoc(docstring)
+    if not _looks_google(cleaned):
+        return None
+
+    repaired = _repair_inline_sections(cleaned, names)
+
+    try:
+        parsed = parse(repaired, style=DocstringStyle.GOOGLE)
+    except Exception:
+        return None
+
+    if not _is_safe_conversion(repaired, parsed):
+        return None
+
+    converted = _format_numpydoc_output(compose(parsed, style=DocstringStyle.NUMPYDOC))
+    return converted if converted != cleaned else None
+
+
+def _reformat_numpydoc_docstring(docstring: str) -> str | None:
+    cleaned = inspect.cleandoc(docstring)
+    if not _looks_numpydoc(cleaned):
+        return None
+
+    formatted = _format_numpydoc_output(cleaned)
+    return formatted if formatted != cleaned else None
+
+
+def _format_multiline_docstring(content: str, indent: int) -> str:
+    indent_str = ' ' * indent
+    lines = content.strip('\n').splitlines()
+    body = '\n'.join(f'{indent_str}{line}' if line else '' for line in lines)
+    return f'\n{body}\n{indent_str}'
+
+
+def _convert_file(path: Path) -> bool:
+    source_code = path.read_text()
+    tree = ast.parse(source_code, type_comments=True)
+    line_starts = calc_line_starts(source_code)
+    replacements: list[tuple[int, int, str]] = []
+
+    nodes: list[ast.AST] = [tree]
+    nodes.extend(ast.walk(tree))
+
+    for node in nodes:
+        if not isinstance(node, (ast.Module, ast.ClassDef, ast.FunctionDef, ast.AsyncFunctionDef)):
+            continue
+
+        docstring_obj = find_docstring(node)
+        if docstring_obj is None:
+            continue
+
+        value = docstring_obj.value
+        end_lineno = getattr(value, 'end_lineno', None)
+        end_col_offset = getattr(value, 'end_col_offset', None)
+        if end_lineno is None or end_col_offset is None:
+            continue
+
+        docstring = ast.get_docstring(node, clean=False)
+        if docstring is None:
+            continue
+
+        converted = _convert_docstring(docstring, _collect_names(node))
+        if converted is None:
+            converted = _reformat_numpydoc_docstring(docstring)
+        if converted is None:
+            continue
+
+        start = calc_abs_pos(source_code, line_starts, value.lineno, value.col_offset)
+        end = calc_abs_pos(source_code, line_starts, end_lineno, end_col_offset)
+        original_literal = source_code[start:end]
+        leading_indent = getattr(value, 'col_offset', 0)
+        formatted = _format_multiline_docstring(converted, leading_indent)
+        new_literal = rebuild_literal(original_literal, formatted)
+        if new_literal is None or new_literal == original_literal:
+            continue
+
+        replacements.append((start, end, new_literal))
+
+    if not replacements:
+        return False
+
+    replacements.sort(reverse=True)
+    new_source = source_code
+    for start, end, replacement in replacements:
+        new_source = new_source[:start] + replacement + new_source[end:]
+
+    compile(new_source, str(path), 'exec')
+    path.write_text(new_source)
+    return True
+
+
+def main(argv: list[str]) -> int:
+    input_paths = [Path(arg) for arg in argv] if argv else [Path('src'), Path('tools')]
+    changed = 0
+
+    for path in _iter_python_files(input_paths):
+        if _convert_file(path):
+            changed += 1
+            print(f'Converted {path}')
+
+    print(f'Converted docstrings in {changed} file(s).')
+    return 0
+
+
+if __name__ == '__main__':
+    raise SystemExit(main(sys.argv[1:]))
diff --git a/tools/create_mkdocs_yml.py b/tools/create_mkdocs_yml.py
deleted file mode 100644
index fb2b8685..00000000
--- a/tools/create_mkdocs_yml.py
+++ /dev/null
@@ -1,158 +0,0 @@
-import os
-import re
-from pathlib import Path
-from typing import Any
-from typing import Dict
-from typing import List
-
-import material.extensions.emoji  # side-effect: register emoji tag
-import pymdownx.superfences  # side-effect: register superfence tag
-import yaml
-
-# Side-effect imports above ensure tagged YAML constructors
-# (e.g., !!python/name:...) can be resolved during load.
-
-
-def _activate_yaml_tag_side_effects() -> None:  # pragma: no cover - trivial
-    """Access imported modules' attributes so Ruff sees them as used.
-
-    The primary purpose of importing these packages is to ensure the
-    tagged constructors are importable during YAML load. Accessing the
-    attributes makes the side-effect explicit without needing noqa.
-    """
-    _ = material.extensions.emoji.twemoji  # type: ignore[attr-defined]
-    _ = pymdownx.superfences.fence_code_format  # type: ignore[attr-defined]
-
-
-_activate_yaml_tag_side_effects()
-
-
-def load_yaml_with_env_variables(file_path: str) -> Dict[str, Any]:
-    """Load YAML resolving env variables declared as !ENV ${VAR_NAME}.
-
-    Args:
-        file_path (str): Path to the YAML file.
-
-    Returns:
-        dict: Parsed YAML content with environment variables replaced.
-    """
-    tag = '!ENV'
-    pattern = re.compile(r'.*?\${([A-Z0-9_]+)}.*?')
-
-    def constructor_env_variables(loader, node):  # type: ignore[all]
-        """YAML constructor replacing !ENV markers with values."""
-        value = loader.construct_scalar(node)  # type: ignore[attr-defined]
-        for var in pattern.findall(value):
-            value = value.replace(f'${{{var}}}', os.environ.get(var, var))
-        return value
-
-    loader = yaml.FullLoader
-    loader.add_implicit_resolver(tag, pattern, None)
-    loader.add_constructor(tag, constructor_env_variables)
-
-    with Path(file_path).open('r', encoding='utf-8') as fh:
-        return yaml.full_load(fh)
-
-
-def merge_yaml(base_config: Dict[str, Any], override_config: Dict[str, Any]) -> Dict[str, Any]:
-    """Deep merge two YAML dicts; override has priority."""
-    if not isinstance(base_config, dict):
-        return override_config
-
-    merged_config = base_config.copy()
-
-    for key, override_value in override_config.items():
-        if key in merged_config:
-            base_value = merged_config[key]
-            if isinstance(base_value, dict) and isinstance(override_value, dict):
-                merged_config[key] = merge_yaml(base_value, override_value)
-            elif isinstance(base_value, list) and isinstance(override_value, list):
-                merged_config[key] = merge_lists(base_value, override_value)
-            else:
-                merged_config[key] = override_value
-        else:
-            merged_config[key] = override_value
-
-    return merged_config
-
-
-def merge_lists(base_list: List[Any], override_list: List[Any]) -> List[Any]:
-    """Merge two lists with handling of single-key dict items.
-
-    Single-key dicts sharing a key are deep-merged; other items are
-    appended if not already present.
-
-    Args:
-        base_list (list): The base list.
-        override_list (list): The overriding list.
-
-    Returns:
-        list: The merged list.
-    """
-    merged_list = []
-    seen_items = {}
-
-    for item in base_list + override_list:
-        if isinstance(item, dict) and len(item) == 1:
-            key = next(iter(item))  # Extract dictionary key (e.g., "mkdocs-jupyter")
-            if key in seen_items:
-                seen_items[key] = merge_yaml(seen_items[key], item[key])  # Merge dictionaries
-            else:
-                seen_items[key] = item[key]
-        elif item not in merged_list:
-            merged_list.append(item)
-
-    # Convert merged dictionary values back into list format
-    for key, value in seen_items.items():
-        merged_list.append({key: value})
-
-    return merged_list
-
-
-def save_yaml(data: Dict[str, Any], output_file: str) -> None:
-    """Write YAML preserving !!python/name tags and Unicode."""
-
-    class CustomDumper(yaml.Dumper):
-        """Custom dumper avoiding unnecessary anchors & quotes."""
-
-        def ignore_aliases(self, _):  # noqa: D401 - simple override
-            return True
-
-    out_path = Path(output_file)
-    with out_path.open('w', encoding='utf-8') as f:
-        f.write('# WARNING: This file is auto-generated during the build process.\n')
-        f.write('# DO NOT EDIT THIS FILE MANUALLY.\n')
-        f.write('# It is created by merging:\n')
-        f.write('#   - Generic YAML file: ../assets-docs/mkdocs.yml\n')
-        f.write('#   - Project specific YAML file: docs/mkdocs.yml\n\n')
-
-    with out_path.open('a', encoding='utf-8') as f:
-        yaml.dump(
-            data,
-            f,
-            Dumper=CustomDumper,  # Use custom dumper
-            allow_unicode=True,  # Ensure Unicode characters like © are preserved
-            default_flow_style=False,  #
-            sort_keys=False,  # Preserve the order of keys
-        )
-
-
-def main() -> None:
-    """Main function to read, merge, and save YAML configurations."""
-    generic_config_path = '../assets-docs/mkdocs.yml'
-    specific_config_path = 'docs/mkdocs.yml'
-    output_path = 'mkdocs.yml'
-
-    print(f'Reading generic config: {generic_config_path}')
-    base_config = load_yaml_with_env_variables(generic_config_path)
-
-    print(f'Reading project specific config: {specific_config_path}')
-    override_config = load_yaml_with_env_variables(specific_config_path)
-
-    print(f'Saving merged config: {output_path}')
-    merged_config = merge_yaml(base_config, override_config)
-    save_yaml(merged_config, output_path)
-
-
-if __name__ == '__main__':
-    main()
diff --git a/tools/license_headers.py b/tools/license_headers.py
new file mode 100644
index 00000000..47d23524
--- /dev/null
+++ b/tools/license_headers.py
@@ -0,0 +1,315 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Add, remove, or check SPDX headers in Python files."""
+
+from __future__ import annotations
+
+import argparse
+import fnmatch
+import tomllib
+from datetime import datetime
+from pathlib import Path
+from typing import Any
+from typing import Optional
+from typing import Union
+
+from git import Repo
+from spdx_headers.core import find_repository_root
+from spdx_headers.core import get_copyright_info
+from spdx_headers.core import has_spdx_header
+from spdx_headers.data import load_license_data
+from spdx_headers.operations import add_header_to_single_file
+from spdx_headers.operations import remove_header_from_single_file
+
+LICENSE_DATABASE = load_license_data()
+
+
+def load_pyproject(repo_path: Union[str, Path]) -> dict[str, Any]:
+    """Load and return parsed ``pyproject.toml`` data for the repository."""
+    repo_root = find_repository_root(repo_path)
+    pyproject_path = repo_root / 'pyproject.toml'
+
+    with pyproject_path.open('rb') as file_handle:
+        return tomllib.load(file_handle)
+
+
+def get_pyproject_value(pyproject_data: dict[str, Any], dotted_key: str) -> Any:
+    """Return a nested ``pyproject.toml`` value from a dotted key."""
+    value: Any = pyproject_data
+    for part in dotted_key.split('.'):
+        if not isinstance(value, dict) or part not in value:
+            raise KeyError(dotted_key)
+        value = value[part]
+    return value
+
+
+def normalize_pattern(pattern: str) -> str:
+    """Normalize an exclude pattern to a POSIX-style relative path."""
+    normalized = Path(pattern).as_posix()
+    if normalized.startswith('./'):
+        normalized = normalized[2:]
+    return normalized.rstrip('/')
+
+
+def get_exclude_patterns(
+    repo_path: Union[str, Path],
+    exclude_values: list[str],
+    exclude_from_pyproject_toml: Optional[str],
+) -> list[str]:
+    """Return normalized exclude patterns from CLI and ``pyproject.toml``."""
+    pyproject_data = load_pyproject(repo_path)
+    patterns: list[str] = []
+
+    if exclude_from_pyproject_toml:
+        value = get_pyproject_value(pyproject_data, exclude_from_pyproject_toml)
+        if not isinstance(value, list) or not all(isinstance(item, str) for item in value):
+            raise ValueError(
+                f'{exclude_from_pyproject_toml} in pyproject.toml must be a list of strings.',
+            )
+        patterns.extend(value)
+
+    for item in exclude_values:
+        try:
+            value = get_pyproject_value(pyproject_data, item)
+        except KeyError:
+            patterns.append(item)
+            continue
+
+        if not isinstance(value, list) or not all(isinstance(entry, str) for entry in value):
+            raise ValueError(f'{item} in pyproject.toml must be a list of strings.')
+        patterns.extend(value)
+
+    normalized_patterns: list[str] = []
+    seen: set[str] = set()
+    for pattern in patterns:
+        normalized = normalize_pattern(pattern)
+        if normalized and normalized not in seen:
+            normalized_patterns.append(normalized)
+            seen.add(normalized)
+
+    return normalized_patterns
+
+
+def get_file_creation_year(file_path: Union[str, Path]) -> str:
+    """Return the year the file was first added to Git history.
+
+    If the year cannot be determined, fall back to the current year.
+    """
+    file_path = Path(file_path)
+
+    repo = Repo(file_path, search_parent_directories=True)
+    root = Path(repo.working_tree_dir).resolve()
+    rel_path = file_path.resolve().relative_to(root)
+
+    rel_path_git = rel_path.as_posix()
+
+    log_output = repo.git.log(
+        '--follow',
+        '--diff-filter=A',
+        '--reverse',
+        '--format=%ad',
+        '--date=format:%Y',
+        '--',
+        rel_path_git,
+    ).strip()
+
+    year = log_output.splitlines()[0].strip() if log_output else ''
+
+    return year or str(datetime.now().year)
+
+
+def get_org_url(repo_path: Union[str, Path]) -> str:
+    """Return the organization URL derived from the repository source URL."""
+    pyproject_data = load_pyproject(repo_path)
+    repo_url = pyproject_data['project']['urls']['Source Code']
+    return repo_url.rsplit('/', 1)[0]
+
+
+def get_project_license(repo_path: Union[str, Path]) -> str:
+    """Return the project license value from ``pyproject.toml``."""
+    pyproject_data = load_pyproject(repo_path)
+    return pyproject_data['project']['license']
+
+
+def get_copyright_holder(repo_path: Union[str, Path]) -> str:
+    """Return the repository copyright holder name."""
+    _, name, _ = get_copyright_info(repo_path)
+    return name
+
+
+def add_spdx_header(
+    target_file: Union[str, Path],
+    *,
+    license_key: str,
+    copyright_holder: str,
+    org_url: str,
+) -> None:
+    """Add SPDX headers to one file."""
+    year = get_file_creation_year(target_file)
+
+    add_header_to_single_file(
+        filepath=target_file,
+        license_key=license_key,
+        license_data=LICENSE_DATABASE,
+        year=year,
+        name=copyright_holder,
+        email=org_url,
+    )
+
+
+def is_excluded(relative_path: str, exclude_patterns: list[str]) -> bool:
+    """Return whether a relative path should be excluded."""
+    for pattern in exclude_patterns:
+        if fnmatch.fnmatch(relative_path, pattern):
+            return True
+        if relative_path == pattern:
+            return True
+        if relative_path.startswith(f'{pattern}/'):
+            return True
+    return False
+
+
+def iter_python_files(
+    paths: list[str],
+    *,
+    repo_root: Path,
+    exclude_patterns: list[str],
+    parser: argparse.ArgumentParser,
+) -> list[Path]:
+    """Collect Python files under the given paths after exclusions."""
+    files: list[Path] = []
+    seen: set[Path] = set()
+
+    for base_dir in paths:
+        base_path = Path(base_dir)
+        if not base_path.exists():
+            parser.error(f'Path does not exist: {base_dir}')
+
+        if base_path.is_file():
+            candidates = [base_path] if base_path.suffix == '.py' else []
+        else:
+            candidates = sorted(base_path.rglob('*.py'))
+
+        for py_file in candidates:
+            resolved = py_file.resolve()
+            try:
+                relative_path = resolved.relative_to(repo_root).as_posix()
+            except ValueError:
+                relative_path = py_file.as_posix()
+
+            if is_excluded(relative_path, exclude_patterns):
+                continue
+
+            if resolved not in seen:
+                files.append(py_file)
+                seen.add(resolved)
+
+    return files
+
+
+def run_add(
+    files: list[Path],
+    *,
+    license_key: str,
+    copyright_holder: str,
+    org_url: str,
+) -> int:
+    """Add SPDX headers to all selected files."""
+    for py_file in files:
+        add_spdx_header(
+            py_file,
+            license_key=license_key,
+            copyright_holder=copyright_holder,
+            org_url=org_url,
+        )
+    return 0
+
+
+def run_remove(files: list[Path]) -> int:
+    """Remove SPDX headers from all selected files."""
+    for py_file in files:
+        remove_header_from_single_file(py_file)
+    return 0
+
+
+def run_check(files: list[Path]) -> int:
+    """Check SPDX headers in all selected files."""
+    missing_files = [py_file for py_file in files if not has_spdx_header(py_file)]
+
+    if not missing_files:
+        print('✓ All Python files have valid SPDX headers.')
+        return 0
+
+    print('✗ The following files are missing SPDX headers:')
+    for py_file in missing_files:
+        print(f'  - {py_file.as_posix()}')
+    print(f'\nFound {len(missing_files)} files without SPDX headers.')
+    return 1
+
+
+def build_parser() -> argparse.ArgumentParser:
+    """Build the CLI argument parser."""
+    parser = argparse.ArgumentParser(
+        description='Add, remove, or check SPDX headers in Python files.',
+    )
+    subparsers = parser.add_subparsers(dest='command', required=True)
+
+    for command_name in ('check', 'remove', 'add'):
+        command_parser = subparsers.add_parser(command_name)
+        command_parser.add_argument(
+            'paths',
+            nargs='+',
+            help='Relative paths to scan (e.g. src tests)',
+        )
+        command_parser.add_argument(
+            '--exclude',
+            nargs='*',
+            default=[],
+            help='Exclude paths, glob patterns, or pyproject dotted keys.',
+        )
+        command_parser.add_argument(
+            '--exclude-from-pyproject-toml',
+            help='Read exclude patterns from a dotted key in pyproject.toml.',
+        )
+
+    return parser
+
+
+def main(argv: Optional[list[str]] = None) -> int:
+    """Run the SPDX header CLI."""
+    parser = build_parser()
+    args = parser.parse_args(argv)
+
+    repo_path = Path('.').resolve()
+    repo_root = find_repository_root(repo_path).resolve()
+    exclude_patterns = get_exclude_patterns(
+        repo_path,
+        args.exclude,
+        args.exclude_from_pyproject_toml,
+    )
+    files = iter_python_files(
+        args.paths,
+        repo_root=repo_root,
+        exclude_patterns=exclude_patterns,
+        parser=parser,
+    )
+
+    if args.command == 'check':
+        return run_check(files)
+
+    if args.command == 'remove':
+        return run_remove(files)
+
+    license_key = get_project_license(repo_path)
+    copyright_holder = get_copyright_holder(repo_path)
+    org_url = get_org_url(repo_path)
+    return run_add(
+        files,
+        license_key=license_key,
+        copyright_holder=copyright_holder,
+        org_url=org_url,
+    )
+
+
+if __name__ == '__main__':
+    raise SystemExit(main())
diff --git a/tools/param_consistency.py b/tools/param_consistency.py
new file mode 100644
index 00000000..cd63989c
--- /dev/null
+++ b/tools/param_consistency.py
@@ -0,0 +1,677 @@
+"""Check and fix consistency between Parameter/Descriptor
+definitions and their public property docstrings and type
+annotations.
+
+Usage::
+
+    python param_consistency.py --check
+    python param_consistency.py --fix
+    python param_consistency.py src/mypackage/ --check
+
+Template (see architecture.md §9.8 for the full spec)
+------------------------------------------------------
+Given ``description='Length of the a axis of the unit
+cell.'``, ``units='Å'``, and type ``Parameter``:
+
+Writable::
+
+    @property
+    def length_a(self) -> Parameter:
+        \"""Length of the a axis of the unit cell (Å).
+
+        Reading this property returns the underlying
+        ``Parameter`` object. Assigning to it updates
+        the parameter value.
+        \"""
+        return self._length_a
+
+    @length_a.setter
+    def length_a(self, value: float) -> None:
+        self._length_a.value = value
+
+Read-only::
+
+    @property
+    def length_a(self) -> Parameter:
+        \"""Length of the a axis of the unit cell (Å).
+
+        Reading this property returns the underlying
+        ``Parameter`` object.
+        \"""
+        return self._length_a
+
+Rules:
+
+- ``{desc}`` = description without trailing period
+  (single source of truth).
+- ``{units}`` = units string; omit ``({units})`` when
+  absent or empty.
+- Getter summary: ``{desc} ({units}).`` or ``{desc}.``
+- Getter body mentions the descriptor class and, for
+  writable properties, notes that assignment updates
+  the value.
+- Setter has **no** docstring.
+- Getter return annotation: the descriptor class name.
+- Setter value annotation: ``float`` for numeric,
+  ``str`` for string.
+- Setter return annotation: ``None``.
+
+Exit code 0 when all checks pass (or fix succeeds),
+1 otherwise.
+"""
+
+from __future__ import annotations
+
+import argparse
+import ast
+import sys
+from dataclasses import dataclass
+from dataclasses import field
+from pathlib import Path
+
+# ---------------------------------------------------------
+# Constants
+# ---------------------------------------------------------
+
+_SRC_ROOT = (
+    Path(__file__).resolve().parents[1]
+    / 'src'
+    / 'easydiffraction'
+)
+
+_DESCRIPTOR_TYPES = frozenset(
+    {'Parameter', 'NumericDescriptor', 'StringDescriptor'}
+)
+
+# Canonical setter value annotation per descriptor family.
+_SETTER_ANN: dict[str, str] = {
+    'Parameter': 'float',
+    'NumericDescriptor': 'float',
+    'StringDescriptor': 'str',
+}
+
+
+# ---------------------------------------------------------
+# Data structures
+# ---------------------------------------------------------
+
+
+@dataclass
+class DescriptorInfo:
+    """Descriptor definition from ``__init__``."""
+
+    attr_name: str  # e.g. '_length_a'
+    prop_name: str  # e.g. 'length_a'
+    type_name: str  # 'Parameter' | …
+    description: str  # e.g. 'Length of …'
+    units: str | None  # e.g. 'Å', or None
+
+
+@dataclass
+class PropertyInfo:
+    """Property getter / setter AST nodes."""
+
+    name: str
+    getter: ast.FunctionDef
+    setter: ast.FunctionDef | None = None
+
+
+@dataclass
+class Edit:
+    """A source-level edit.
+
+    Replace ``lines[start:end]`` with *new_text*.
+    When ``start == end`` the edit is an insertion
+    before that line.
+    """
+
+    start: int  # 0-based inclusive
+    end: int  # 0-based exclusive
+    new_text: str
+
+
+@dataclass
+class FileResult:
+    """Analysis result for one source file."""
+
+    path: Path
+    issues: list[str] = field(default_factory=list)
+    edits: list[Edit] = field(default_factory=list)
+
+
+# ---------------------------------------------------------
+# Template helpers
+# ---------------------------------------------------------
+
+
+def _strip_dot(s: str) -> str:
+    """Remove trailing period and whitespace."""
+    s = s.rstrip()
+    if s.endswith('.'):
+        s = s[:-1].rstrip()
+    return s
+
+
+def _getter_docstring(
+    desc: str,
+    units: str | None,
+    type_name: str,
+    has_setter: bool,
+    indent: str,
+) -> str:
+    """Build the expected getter docstring."""
+    d = _strip_dot(desc)
+    summary = f'{d} ({units}).' if units else f'{d}.'
+
+    if has_setter:
+        body = (
+            f'Reading this property returns the underlying '
+            f'``{type_name}`` object. '
+            f'Assigning to it updates the parameter value.'
+        )
+    else:
+        body = (
+            f'Reading this property returns the underlying '
+            f'``{type_name}`` object.'
+        )
+
+    return (
+        f'{indent}"""{summary}\n'
+        f'\n'
+        f'{indent}{body}\n'
+        f'{indent}"""\n'
+    )
+
+
+def _normalize(text: str) -> str:
+    """Collapse whitespace for comparison."""
+    return ' '.join(text.split()).lower()
+
+
+# ---------------------------------------------------------
+# AST helpers
+# ---------------------------------------------------------
+
+
+def _call_name(node: ast.Call) -> str | None:
+    """Return the simple name of a Call's func."""
+    if isinstance(node.func, ast.Name):
+        return node.func.id
+    if isinstance(node.func, ast.Attribute):
+        return node.func.attr
+    return None
+
+
+def _kwarg_str(
+    call: ast.Call,
+    name: str,
+) -> str | None:
+    """Extract a string keyword argument."""
+    for kw in call.keywords:
+        if (
+            kw.arg == name
+            and isinstance(kw.value, ast.Constant)
+            and isinstance(kw.value.value, str)
+        ):
+            return kw.value.value
+    return None
+
+
+def _ann_str(ann: ast.expr | None) -> str | None:
+    """Return annotation as a source string."""
+    if ann is None:
+        return None
+    if isinstance(ann, ast.Name):
+        return ann.id
+    if isinstance(ann, ast.Constant) and isinstance(
+        ann.value, str
+    ):
+        return ann.value  # forward reference
+    return ast.unparse(ann)
+
+
+def _body_indent(
+    func: ast.FunctionDef,
+    lines: list[str],
+) -> str:
+    """Compute the indentation for the body."""
+    def_line = lines[func.lineno - 1]
+    return ' ' * (
+        len(def_line) - len(def_line.lstrip()) + 4
+    )
+
+
+def _def_line_range(
+    func: ast.FunctionDef,
+    lines: list[str],
+) -> tuple[int, int]:
+    """Return 0-based [start, end) of the def."""
+    start = func.lineno - 1
+    for i in range(start, min(start + 10, len(lines))):
+        if lines[i].rstrip().endswith(':'):
+            return start, i + 1
+        if func.body and i + 1 >= func.body[0].lineno:
+            break
+    return start, start + 1
+
+
+def _docstring_range(
+    func: ast.FunctionDef,
+) -> tuple[str | None, int, int]:
+    """Return (text, start_0, end_exclusive_0)."""
+    if not func.body:
+        return None, -1, -1
+    first = func.body[0]
+    if (
+        isinstance(first, ast.Expr)
+        and isinstance(first.value, ast.Constant)
+        and isinstance(first.value.value, str)
+    ):
+        # end_lineno is 1-based inclusive
+        return (
+            first.value.value,
+            first.lineno - 1,
+            first.end_lineno,
+        )
+    return None, -1, -1
+
+
+# ---------------------------------------------------------
+# Extraction
+# ---------------------------------------------------------
+
+
+def _extract_descriptors(
+    cls: ast.ClassDef,
+) -> dict[str, DescriptorInfo]:
+    """Find self._xxx = DescriptorType(...) in init."""
+    result: dict[str, DescriptorInfo] = {}
+
+    init = next(
+        (
+            n
+            for n in cls.body
+            if isinstance(n, ast.FunctionDef)
+            and n.name == '__init__'
+        ),
+        None,
+    )
+    if init is None:
+        return result
+
+    for stmt in ast.walk(init):
+        if (
+            isinstance(stmt, ast.Assign)
+            and len(stmt.targets) == 1
+        ):
+            target = stmt.targets[0]
+            value = stmt.value
+        elif (
+            isinstance(stmt, ast.AnnAssign)
+            and stmt.value is not None
+        ):
+            target = stmt.target
+            value = stmt.value
+        else:
+            continue
+
+        # Target must be self._xxx
+        if not (
+            isinstance(target, ast.Attribute)
+            and isinstance(target.value, ast.Name)
+            and target.value.id == 'self'
+            and target.attr.startswith('_')
+        ):
+            continue
+
+        if not isinstance(value, ast.Call):
+            continue
+
+        name = _call_name(value)
+        if name not in _DESCRIPTOR_TYPES:
+            continue
+
+        desc_str = _kwarg_str(value, 'description')
+        if not desc_str or not _strip_dot(desc_str):
+            continue
+
+        units = _kwarg_str(value, 'units') or None
+        prop = target.attr.lstrip('_')
+        result[prop] = DescriptorInfo(
+            target.attr, prop, name, desc_str, units
+        )
+
+    return result
+
+
+def _extract_properties(
+    cls: ast.ClassDef,
+) -> dict[str, PropertyInfo]:
+    """Find property getters and setters."""
+    result: dict[str, PropertyInfo] = {}
+
+    for item in cls.body:
+        if not isinstance(item, ast.FunctionDef):
+            continue
+        for dec in item.decorator_list:
+            # @property
+            if (
+                isinstance(dec, ast.Name)
+                and dec.id == 'property'
+            ):
+                result[item.name] = PropertyInfo(
+                    item.name, item
+                )
+                break
+            # @xxx.setter
+            if (
+                isinstance(dec, ast.Attribute)
+                and dec.attr == 'setter'
+                and isinstance(dec.value, ast.Name)
+                and dec.value.id in result
+            ):
+                result[dec.value.id].setter = item
+                break
+
+    return result
+
+
+# ---------------------------------------------------------
+# Analysis (shared by --check and --fix)
+# ---------------------------------------------------------
+
+
+def _analyze_file(path: Path) -> FileResult:
+    """Analyze one file, return issues and edits."""
+    result = FileResult(path)
+    try:
+        source = path.read_text(encoding='utf-8')
+    except Exception:  # noqa: BLE001
+        return result
+
+    lines = source.splitlines(keepends=True)
+
+    try:
+        tree = ast.parse(source, filename=str(path))
+    except SyntaxError:
+        return result
+
+    for node in tree.body:
+        if not isinstance(node, ast.ClassDef):
+            continue
+
+        descriptors = _extract_descriptors(node)
+        properties = _extract_properties(node)
+
+        for prop_name, prop in properties.items():
+            if prop_name not in descriptors:
+                continue
+            desc = descriptors[prop_name]
+            _analyze_property(
+                node.name, prop, desc, lines, result
+            )
+
+    return result
+
+
+def _analyze_property(
+    cls_name: str,
+    prop: PropertyInfo,
+    desc: DescriptorInfo,
+    lines: list[str],
+    result: FileResult,
+) -> None:
+    """Check one property against the template."""
+    loc = f'{cls_name}.{prop.name}'
+    indent = _body_indent(prop.getter, lines)
+    has_setter = prop.setter is not None
+
+    # --- Getter return annotation ---
+    actual_ret = _ann_str(prop.getter.returns)
+    expected_ret = desc.type_name
+    if actual_ret != expected_ret:
+        result.issues.append(
+            f'{loc}: getter annotation '
+            f'-> {actual_ret} (expected {expected_ret})'
+        )
+        ds, de = _def_line_range(prop.getter, lines)
+        def_indent = lines[ds][
+            : len(lines[ds]) - len(lines[ds].lstrip())
+        ]
+        new_def = (
+            f'{def_indent}def {prop.name}'
+            f'(self) -> {expected_ret}:\n'
+        )
+        result.edits.append(Edit(ds, de, new_def))
+
+    # --- Getter docstring ---
+    expected_doc = _getter_docstring(
+        desc.description,
+        desc.units,
+        desc.type_name,
+        has_setter,
+        indent,
+    )
+    actual_doc_text, doc_s, doc_e = _docstring_range(
+        prop.getter
+    )
+
+    if actual_doc_text is None:
+        result.issues.append(
+            f'{loc}: getter missing docstring'
+        )
+        _, def_end = _def_line_range(prop.getter, lines)
+        result.edits.append(
+            Edit(def_end, def_end, expected_doc)
+        )
+    else:
+        actual_src = ''.join(lines[doc_s:doc_e])
+        if _normalize(actual_src) != _normalize(
+            expected_doc
+        ):
+            result.issues.append(
+                f'{loc}: getter docstring '
+                'does not match template'
+            )
+            result.edits.append(
+                Edit(doc_s, doc_e, expected_doc)
+            )
+
+    # --- Setter ---
+    if prop.setter is None:
+        return
+
+    # Setter def-line annotations
+    setter_args = prop.setter.args.args
+    setter_param = (
+        setter_args[1].arg
+        if len(setter_args) >= 2
+        else 'value'
+    )
+    expected_ann = _SETTER_ANN[desc.type_name]
+
+    actual_val_ann = None
+    if (
+        len(setter_args) >= 2
+        and setter_args[1].annotation
+    ):
+        actual_val_ann = _ann_str(
+            setter_args[1].annotation
+        )
+
+    actual_ret_ann = _ann_str(prop.setter.returns)
+
+    if (
+        actual_val_ann != expected_ann
+        or actual_ret_ann != 'None'
+    ):
+        parts: list[str] = []
+        if actual_val_ann != expected_ann:
+            parts.append(
+                f'value: {actual_val_ann} '
+                f'(expected {expected_ann})'
+            )
+        if actual_ret_ann != 'None':
+            parts.append(
+                f'return: {actual_ret_ann} '
+                '(expected None)'
+            )
+        result.issues.append(
+            f'{loc}: setter annotation '
+            f'— {", ".join(parts)}'
+        )
+
+        ds, de = _def_line_range(prop.setter, lines)
+        def_indent = lines[ds][
+            : len(lines[ds]) - len(lines[ds].lstrip())
+        ]
+        new_def = (
+            f'{def_indent}def {prop.name}'
+            f'(self, {setter_param}: '
+            f'{expected_ann}) -> None:\n'
+        )
+        result.edits.append(Edit(ds, de, new_def))
+
+    # Setter docstring — should not exist
+    setter_doc_text, sd_s, sd_e = _docstring_range(
+        prop.setter
+    )
+    if setter_doc_text is not None:
+        result.issues.append(
+            f'{loc}: setter has docstring '
+            '(should have none)'
+        )
+        result.edits.append(Edit(sd_s, sd_e, ''))
+
+
+# ---------------------------------------------------------
+# Apply edits
+# ---------------------------------------------------------
+
+
+def _apply_edits(
+    lines: list[str],
+    edits: list[Edit],
+) -> list[str]:
+    """Apply edits bottom-up to preserve line numbers."""
+    sorted_edits = sorted(
+        edits, key=lambda e: e.start, reverse=True
+    )
+    result = list(lines)
+    for edit in sorted_edits:
+        new_lines = edit.new_text.splitlines(keepends=True)
+        result[edit.start : edit.end] = new_lines
+    return result
+
+
+# ---------------------------------------------------------
+# Entry point
+# ---------------------------------------------------------
+
+
+def _collect_py_files(paths: list[str]) -> list[Path]:
+    """Resolve paths to a sorted list of .py files.
+
+    Each entry can be a directory (recursively globbed)
+    or a single .py file.  When *paths* is empty,
+    defaults to ``_SRC_ROOT``.
+    """
+    if not paths:
+        return sorted(_SRC_ROOT.rglob('*.py'))
+
+    result: list[Path] = []
+    for raw in paths:
+        p = Path(raw).resolve()
+        if p.is_dir():
+            result.extend(p.rglob('*.py'))
+        elif p.is_file() and p.suffix == '.py':
+            result.append(p)
+    return sorted(set(result))
+
+
+def main() -> int:
+    """Run param-consistency check or fix."""
+    parser = argparse.ArgumentParser(
+        description=(
+            'Parameter / property consistency: '
+            'docstrings and type hints.'
+        ),
+    )
+    parser.add_argument(
+        'paths',
+        nargs='*',
+        help=(
+            'Directories or .py files to scan '
+            '(default: src/easydiffraction/)'
+        ),
+    )
+    group = parser.add_mutually_exclusive_group()
+    group.add_argument(
+        '--check',
+        action='store_true',
+        help='Validate consistency (default)',
+    )
+    group.add_argument(
+        '--fix',
+        action='store_true',
+        help='Auto-fix docstrings and type hints',
+    )
+    args = parser.parse_args()
+
+    py_files = _collect_py_files(args.paths)
+    repo_root = Path(__file__).resolve().parents[1]
+    total_issues = 0
+    total_fixed = 0
+    files_touched = 0
+
+    for path in py_files:
+        result = _analyze_file(path)
+        if not result.issues:
+            continue
+
+        try:
+            rel = path.relative_to(repo_root)
+        except ValueError:
+            rel = path
+
+        if args.fix:
+            source_lines = path.read_text(
+                encoding='utf-8'
+            ).splitlines(keepends=True)
+            fixed_lines = _apply_edits(
+                source_lines, result.edits
+            )
+            path.write_text(
+                ''.join(fixed_lines), encoding='utf-8'
+            )
+            count = len(result.issues)
+            total_fixed += count
+            files_touched += 1
+            print(
+                f'📝 {rel}: fixed {count} issue(s)'
+            )
+        else:
+            for issue in result.issues:
+                print(f'  ❌ {rel}: {issue}')
+            total_issues += len(result.issues)
+
+    # Summary
+    print()
+    if args.fix:
+        print(
+            f'✅ Fixed {total_fixed} issue(s) '
+            f'in {files_touched} file(s).'
+        )
+        return 0
+    if total_issues:
+        print(
+            f'❌ {total_issues} consistency '
+            'issue(s) found.'
+        )
+        return 1
+    print('✅ All properties match the template.')
+    return 0
+
+
+if __name__ == '__main__':
+    sys.exit(main())
diff --git a/tools/test_scripts.py b/tools/test_scripts.py
index 327bafd2..2dcca083 100644
--- a/tools/test_scripts.py
+++ b/tools/test_scripts.py
@@ -1,3 +1,5 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
 """Test runner for tutorial scripts in the 'tutorials' directory.
 
 This test discovers and executes all Python scripts located under the
@@ -16,15 +18,13 @@
 
 import pytest
 
-# Mark this module as 'integration' so it's excluded by default
-# (see pytest.ini)
-pytestmark = pytest.mark.integration
-
 _repo_root = Path(__file__).resolve().parents[1]
 _src_root = _repo_root / 'src'
 
 # Discover tutorial scripts, excluding temporary checkpoint files
-TUTORIALS = [p for p in Path('tutorials').rglob('*.py') if '.ipynb_checkpoints' not in p.parts]
+TUTORIALS = [
+    p for p in Path('docs/docs/tutorials').rglob('*.py') if '.ipynb_checkpoints' not in p.parts
+]
 
 
 @pytest.mark.parametrize('script_path', TUTORIALS)
@@ -51,6 +51,7 @@ def test_script_runs(script_path: Path):
         env=env,
         capture_output=True,
         text=True,
+        encoding='utf-8',
     )
     if result.returncode != 0:
         details = (result.stdout or '') + (result.stderr or '')
diff --git a/tools/update_docs_assets.py b/tools/update_docs_assets.py
new file mode 100644
index 00000000..b274e038
--- /dev/null
+++ b/tools/update_docs_assets.py
@@ -0,0 +1,91 @@
+"""
+Update documentation assets from the assets-branding repository.
+
+This script fetches branding assets (logos, icons, images) from the
+easyscience/assets-branding GitHub repository and copies them to the
+appropriate locations in the documentation directory.
+"""
+
+import shutil
+from pathlib import Path
+
+import pooch
+
+# Configuration: Define what to fetch and where to copy
+GITHUB_REPO = 'easyscience/assets-branding'
+GITHUB_BRANCH = 'master'
+BASE_URL = f'https://raw.githubusercontent.com/{GITHUB_REPO}/refs/heads/{GITHUB_BRANCH}'
+PROJECT_NAME = 'easydiffraction'
+
+# Mapping of source files to destination paths
+# Format: "source_path_in_repo": "destination_path_in_project"
+ASSETS_MAP = {
+    # Logos
+    f'{PROJECT_NAME}/logos/dark.svg': 'docs/docs/assets/images/logo_dark.svg',
+    f'{PROJECT_NAME}/logos/light.svg': 'docs/docs/assets/images/logo_light.svg',
+    # Favicon
+    f'{PROJECT_NAME}/icons/color.png': 'docs/docs/assets/images/favicon.png',
+    # Icon overrides
+    f'{PROJECT_NAME}/icons/bw.svg': f'docs/overrides/.icons/{PROJECT_NAME}.svg',
+    'easyscience-org/icons/eso-icon_bw.svg': 'docs/overrides/.icons/easyscience.svg',
+}
+
+
+def fetch_and_copy_asset(
+    source_path: str,
+    dest_path: str,
+    cache_dir: Path,
+) -> None:
+    """
+    Fetch an asset from GitHub and copy it to the destination.
+
+    Args:
+        source_path: Path to the file in the GitHub repository
+        dest_path: Destination path in the project
+        cache_dir: Directory to cache downloaded files
+    """
+    url = f'{BASE_URL}/{source_path}'
+
+    # Create a unique cache filename based on source path
+    cache_filename = source_path.replace('/', '_')
+
+    # Download file using pooch
+    file_path = pooch.retrieve(
+        url=url,
+        known_hash=None,  # Skip hash verification
+        path=cache_dir,
+        fname=cache_filename,
+    )
+
+    # Create destination directory if it doesn't exist
+    dest = Path(dest_path)
+    dest.parent.mkdir(parents=True, exist_ok=True)
+
+    # Copy the file to destination
+    shutil.copy2(file_path, dest)
+    print(f'Copied {file_path} -> {dest_path}')
+
+
+def main():
+    """Main function to update all documentation assets."""
+    print('📥 Updating documentation assets...')
+    print(f'   Repository: {GITHUB_REPO}')
+    print(f'   Branch: {GITHUB_BRANCH}\n')
+
+    # Use a temporary cache directory
+    cache_dir = Path.home() / '.cache' / GITHUB_REPO
+    cache_dir.mkdir(parents=True, exist_ok=True)
+
+    # Fetch and copy each asset
+    for source_path, dest_path in ASSETS_MAP.items():
+        try:
+            fetch_and_copy_asset(source_path, dest_path, cache_dir)
+            print()
+        except Exception as e:
+            print(f'❌ Failed to fetch {source_path}: {e}')
+
+    print('\n✅ Documentation assets updated successfully!')
+
+
+if __name__ == '__main__':
+    main()
diff --git a/tools/update_github_labels.py b/tools/update_github_labels.py
new file mode 100644
index 00000000..84de575e
--- /dev/null
+++ b/tools/update_github_labels.py
@@ -0,0 +1,341 @@
+# SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
+# SPDX-License-Identifier: BSD-3-Clause
+"""Set/update GitHub labels for current or specified easyscience
+repository.
+
+Requires:
+  - gh CLI installed
+  - gh auth login completed
+
+Usage:
+  python update_github_labels.py
+  python update_github_labels.py --dry-run
+  python update_github_labels.py --repo easyscience/my-repo
+  python update_github_labels.py --repo easyscience/my-repo --dry-run
+"""
+
+from __future__ import annotations
+
+import argparse
+import json
+import shlex
+import subprocess  # noqa: S404
+import sys
+from dataclasses import dataclass
+
+EASYSCIENCE_ORG = 'easyscience'
+
+
+# Data structures
+
+
+@dataclass(frozen=True)
+class Label:
+    """A GitHub label with name, color, and description."""
+
+    name: str
+    color: str
+    description: str = ''
+
+
+@dataclass(frozen=True)
+class LabelRename:
+    """Mapping from old label name to new label name."""
+
+    old: str
+    new: str
+
+
+class Colors:
+    """Hex color codes for label groups."""
+
+    SCOPE = 'd73a4a'
+    MAINTAINER = '0e8a16'
+    PRIORITY = 'fbca04'
+    BOT = '5319e7'
+
+
+LABEL_RENAMES = [
+    # Default GitHub labels to rename (if they exist)
+    LabelRename('bug', '[scope] bug'),
+    LabelRename('documentation', '[scope] documentation'),
+    LabelRename('duplicate', '[maintainer] duplicate'),
+    LabelRename('enhancement', '[scope] enhancement'),
+    LabelRename('good first issue', '[maintainer] good first issue'),
+    LabelRename('help wanted', '[maintainer] help wanted'),
+    LabelRename('invalid', '[maintainer] invalid'),
+    LabelRename('question', '[maintainer] question'),
+    LabelRename('wontfix', '[maintainer] wontfix'),
+    # Custom label renames (if they exist)
+    LabelRename('[bot] pull request', '[bot] release'),
+]
+
+LABELS = [
+    # Scope labels
+    Label(
+        '[scope] bug',
+        Colors.SCOPE,
+        'Bug report or fix (major.minor.PATCH)',
+    ),
+    Label(
+        '[scope] documentation',
+        Colors.SCOPE,
+        'Documentation only changes (major.minor.patch.POST)',
+    ),
+    Label(
+        '[scope] enhancement',
+        Colors.SCOPE,
+        'Adds/improves features (major.MINOR.patch)',
+    ),
+    Label(
+        '[scope] maintenance',
+        Colors.SCOPE,
+        'Code/tooling cleanup, no feature or bugfix (major.minor.PATCH)',
+    ),
+    Label(
+        '[scope] significant',
+        Colors.SCOPE,
+        'Breaking or major changes (MAJOR.minor.patch)',
+    ),
+    Label(
+        '[scope] ⚠️ label needed',
+        Colors.SCOPE,
+        'Automatically added to issues and PRs without a [scope] label',
+    ),
+    # Maintainer labels
+    Label(
+        '[maintainer] duplicate',
+        Colors.MAINTAINER,
+        'Already reported or submitted',
+    ),
+    Label(
+        '[maintainer] good first issue',
+        Colors.MAINTAINER,
+        'Good entry-level issue for newcomers',
+    ),
+    Label(
+        '[maintainer] help wanted',
+        Colors.MAINTAINER,
+        'Needs additional help to resolve or implement',
+    ),
+    Label(
+        '[maintainer] invalid',
+        Colors.MAINTAINER,
+        'Invalid, incorrect or outdated',
+    ),
+    Label(
+        '[maintainer] question',
+        Colors.MAINTAINER,
+        'Needs clarification, discussion, or more information',
+    ),
+    Label(
+        '[maintainer] wontfix',
+        Colors.MAINTAINER,
+        'Will not be fixed or continued',
+    ),
+    # Priority labels
+    Label(
+        '[priority] lowest',
+        Colors.PRIORITY,
+        'Very low urgency',
+    ),
+    Label(
+        '[priority] low',
+        Colors.PRIORITY,
+        'Low importance',
+    ),
+    Label(
+        '[priority] medium',
+        Colors.PRIORITY,
+        'Normal/default priority',
+    ),
+    Label(
+        '[priority] high',
+        Colors.PRIORITY,
+        'Should be prioritized soon',
+    ),
+    Label(
+        '[priority] highest',
+        Colors.PRIORITY,
+        'Urgent. Needs attention ASAP',
+    ),
+    Label(
+        '[priority] ⚠️ label needed',
+        Colors.PRIORITY,
+        'Automatically added to issues without a [priority] label',
+    ),
+    # Bot label
+    Label(
+        '[bot] release',
+        Colors.BOT,
+        'Automated release PR. Excluded from changelog/versioning',
+    ),
+    Label(
+        '[bot] backmerge',
+        Colors.BOT,
+        'Automated backmerge master → develop failed due to conflicts',
+    ),
+]
+
+
+# Helpers
+
+
+@dataclass(frozen=True)
+class CmdResult:
+    """Result of a shell command execution."""
+
+    returncode: int
+    stdout: str
+    stderr: str
+
+
+def run_cmd(
+    args: list[str],
+    *,
+    dry_run: bool,
+    check: bool = True,
+) -> CmdResult:
+    """Run a command (or print it in dry-run mode)."""
+    cmd_str = ' '.join(shlex.quote(a) for a in args)
+
+    if dry_run:
+        print(f'  [dry-run] {cmd_str}')
+        return CmdResult(0, '', '')
+
+    proc = subprocess.run(
+        args=args,
+        text=True,
+        capture_output=True,
+    )
+    result = CmdResult(
+        proc.returncode,
+        proc.stdout.strip(),
+        proc.stderr.strip(),
+    )
+
+    if check and proc.returncode != 0:
+        raise RuntimeError(f'Command failed ({proc.returncode}): {cmd_str}\n{result.stderr}')
+
+    return result
+
+
+def get_current_repo() -> str:
+    """Get the current repository name in 'owner/repo' format."""
+    result = subprocess.run(
+        args=[
+            'gh',
+            'repo',
+            'view',
+            '--json',
+            'nameWithOwner',
+        ],
+        text=True,
+        capture_output=True,
+        check=True,
+    )
+    data = json.loads(result.stdout)
+    name_with_owner = data.get('nameWithOwner', '')
+
+    if '/' not in name_with_owner:
+        raise RuntimeError('Could not determine current repository name')
+
+    return name_with_owner
+
+
+def rename_label(
+    repo: str,
+    rename: LabelRename,
+    *,
+    dry_run: bool,
+) -> None:
+    """Rename a label, silently skipping if it doesn't exist."""
+    result = run_cmd(
+        args=[
+            'gh',
+            'label',
+            'edit',
+            rename.old,
+            '--name',
+            rename.new,
+            '--repo',
+            repo,
+        ],
+        dry_run=dry_run,
+        check=False,
+    )
+
+    if dry_run or result.returncode == 0:
+        print(f'  Rename: {rename.old!r} → {rename.new!r}')
+    else:
+        print(f'  Skip (not found): {rename.old!r}')
+
+
+def upsert_label(
+    repo: str,
+    label: Label,
+    *,
+    dry_run: bool,
+) -> None:
+    """Create or update a label."""
+    run_cmd(
+        [
+            'gh',
+            'label',
+            'create',
+            label.name,
+            '--color',
+            label.color,
+            '--description',
+            label.description,
+            '--force',
+            '--repo',
+            repo,
+        ],
+        dry_run=dry_run,
+    )
+    print(f'  Upsert: {label.name!r}')
+
+
+# Main
+
+
+def main() -> int:
+    """Entry point: parse arguments and sync labels."""
+    parser = argparse.ArgumentParser(description='Sync GitHub labels for easyscience repos')
+    parser.add_argument(
+        '--repo',
+        help='Target repository (owner/name)',
+    )
+    parser.add_argument(
+        '--dry-run',
+        action='store_true',
+        help='Print actions without applying changes',
+    )
+    args = parser.parse_args()
+
+    repo = args.repo or get_current_repo()
+    org = repo.split('/')[0]
+
+    if org.lower() != EASYSCIENCE_ORG:
+        print(f"Error: repository '{repo}' is not under '{EASYSCIENCE_ORG}'", file=sys.stderr)
+        return 2
+
+    print(f'Repository: {repo}')
+    if args.dry_run:
+        print('Mode: DRY-RUN (no changes will be made)\n')
+
+    print('\nRenaming default labels...')
+    for rename in LABEL_RENAMES:
+        rename_label(repo, rename, dry_run=args.dry_run)
+
+    print('\nUpserting labels...')
+    for label in LABELS:
+        upsert_label(repo, label, dry_run=args.dry_run)
+
+    print('\nDone.')
+    return 0
+
+
+if __name__ == '__main__':
+    raise SystemExit(main())
diff --git a/tools/update_spdx.py b/tools/update_spdx.py
deleted file mode 100644
index df9236af..00000000
--- a/tools/update_spdx.py
+++ /dev/null
@@ -1,109 +0,0 @@
-"""Update or insert SPDX headers in Python files.
-
-- Ensures SPDX-FileCopyrightText has the current year.
-- Ensures SPDX-License-Identifier is set to BSD-3-Clause.
-"""
-
-import datetime
-import fnmatch
-import re
-from pathlib import Path
-
-CURRENT_YEAR = datetime.datetime.now().year
-COPYRIGHT_TEXT = (
-    f'# SPDX-FileCopyrightText: 2021-{CURRENT_YEAR} EasyDiffraction contributors '
-    '<https://github.com/easyscience/diffraction>'
-)
-LICENSE_TEXT = '# SPDX-License-Identifier: BSD-3-Clause'
-
-# Patterns to exclude from SPDX header updates (vendored code)
-EXCLUDE_PATTERNS = [
-    '*/_vendored/jupyter_dark_detect/*',
-]
-
-
-def should_exclude(file_path: Path) -> bool:
-    """Check if a file should be excluded from SPDX header updates."""
-    path_str = str(file_path)
-    return any(fnmatch.fnmatch(path_str, pattern) for pattern in EXCLUDE_PATTERNS)
-
-
-def update_spdx_header(file_path: Path):
-    # Use Path.open to satisfy lint rule PTH123.
-    with file_path.open('r', encoding='utf-8') as f:
-        original_lines = f.readlines()
-
-    # Regexes for SPDX lines
-    copy_re = re.compile(r'^#\s*SPDX-FileCopyrightText:.*$')
-    lic_re = re.compile(r'^#\s*SPDX-License-Identifier:.*$')
-
-    # 1) Preserve any leading shebang / coding cookie lines
-    prefix = []
-    body_start = 0
-    if original_lines:
-        # Shebang line like "#!/usr/bin/env python3"
-        if original_lines[0].startswith('#!'):
-            prefix.append(original_lines[0])
-            body_start = 1
-        # PEP 263 coding cookie on first or second line
-        # e.g. "# -*- coding: utf-8 -*-" or "# coding: utf-8"
-        for _ in range(2):  # at most one more line to inspect
-            if body_start < len(original_lines):
-                line = original_lines[body_start]
-                if re.match(r'^#.*coding[:=]\s*[-\w.]+', line):
-                    prefix.append(line)
-                    body_start += 1
-                else:
-                    break
-
-    # 2) Work on the remaining body
-    body = original_lines[body_start:]
-
-    # Remove any existing SPDX lines anywhere in the body
-    body = [ln for ln in body if not (copy_re.match(ln) or lic_re.match(ln))]
-
-    # Strip leading blank lines in the body so header is tight
-    while body and not body[0].strip():
-        body.pop(0)
-
-    # 3) Build canonical SPDX block: two lines + exactly one blank
-    spdx_block = [
-        COPYRIGHT_TEXT + '\n',
-        LICENSE_TEXT + '\n',
-        '\n',
-    ]
-
-    # 4) New content: prefix + SPDX + body
-    new_lines = prefix + spdx_block + body
-
-    # 5) Normalize: collapse any extra blank lines immediately after
-    #    LICENSE to exactly one. This keeps the script idempotent.
-    # Find the index of LICENSE we just inserted (prefix may be 0, 1,
-    # or 2 lines)
-    lic_idx = len(prefix) + 1  # spdx_block[1] is the license line
-    # Ensure exactly one blank line after LICENSE
-    # Remove all blank lines after lic_idx, then insert a single blank.
-    j = lic_idx + 1
-    # Remove any number of blank lines following
-    while j < len(new_lines) and not new_lines[j].strip():
-        new_lines.pop(j)
-    # Insert exactly one blank line at this position
-    new_lines.insert(j, '\n')
-
-    with file_path.open('w', encoding='utf-8') as f:
-        f.writelines(new_lines)
-
-
-def main():
-    """Recursively update or insert SPDX headers in all Python files
-    under the 'src' and 'tests' directories.
-    """
-    for base_dir in ('src', 'tests'):
-        for py_file in Path(base_dir).rglob('*.py'):
-            if should_exclude(py_file):
-                continue
-            update_spdx_header(py_file)
-
-
-if __name__ == '__main__':
-    main()