diff --git a/.copier-answers.yml b/.copier-answers.yml
index 929409549..a807c84da 100644
--- a/.copier-answers.yml
+++ b/.copier-answers.yml
@@ -1,6 +1,6 @@
 # WARNING: Do not edit this file manually.
 # Any changes will be overwritten by Copier.
-_commit: v0.11.0-7-gb5113cf
+_commit: v0.11.1-12-gbb9bb30
 _src_path: gh:easyscience/templates
 app_docs_url: https://easyscience.github.io/diffraction-app
 app_doi: 10.5281/zenodo.18163581
diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml
index 117416a3f..def30827c 100644
--- a/.github/workflows/docs.yml
+++ b/.github/workflows/docs.yml
@@ -27,12 +27,16 @@ on:
   # Allows you to run this workflow manually from the Actions tab
   workflow_dispatch:
 
-# Allow only one concurrent deployment to gh-pages at a time.
-# All docs workflows share the same concurrency group to prevent race conditions
-# when multiple branches/tags trigger simultaneous deployments.
+# - Non-tagged pushes and pull requests all use `docs-dev` group, so
+#   they cancel each other.
+# - Tagged pushes use their own group like docs-v1.2.3, so they do not
+#   cancel non-tagged runs, and non-tagged runs do not cancel them.
 concurrency:
-  group: docs-gh-pages-deploy
-  cancel-in-progress: false
+  group: >-
+    ${{ startsWith(github.ref, 'refs/tags/v')
+      && format('docs-{0}', github.ref_name)
+      || 'docs-dev' }}
+  cancel-in-progress: true
 
 # Set the environment variables to be used in all jobs defined in this workflow
 env:
diff --git a/.github/workflows/issues-labels.yml b/.github/workflows/issues-labels.yml
index 31a69ad20..56ab5b19a 100644
--- a/.github/workflows/issues-labels.yml
+++ b/.github/workflows/issues-labels.yml
@@ -1,6 +1,6 @@
-# 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.
+# Verifies if the current issue has at least one real `[scope]` label and one
+# real `[priority]` label. If either is missing, the workflow adds a reminder
+# label with a warning emoji.
 
 name: Issue labels check
 
@@ -13,8 +13,6 @@ permissions:
 
 jobs:
   check-labels:
-    if: github.actor != 'easyscience[bot]'
-
     runs-on: ubuntu-latest
 
     concurrency:
@@ -25,27 +23,127 @@ jobs:
       - name: Checkout repository
         uses: actions/checkout@v6
 
-      - name: Setup easyscience[bot]
-        id: bot
-        uses: ./.github/actions/setup-easyscience-bot
+      - name: Sync missing-label reminders
+        uses: ./.github/actions/github-script
         with:
-          app-id: ${{ vars.EASYSCIENCE_APP_ID }}
-          private-key: ${{ secrets.EASYSCIENCE_APP_KEY }}
+          script: |
+            const fs = require('fs');
 
-      - 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: ${{ steps.bot.outputs.token }}
-          prefix: '[priority]'
-          labelSeparator: ' '
-          addLabel: true
-          defaultLabel: '[priority] ⚠️ label needed'
+            const issueNumber = context.issue.number;
+            const action = context.payload.action;
+            const changedLabel = context.payload.label?.name ?? null;
+            const labels = context.payload.issue.labels.map(({ name }) => name);
+            const requirements = [
+              {
+                prefix: '[scope] ',
+                reminder: '[scope] ⚠️ label needed',
+              },
+              {
+                prefix: '[priority] ',
+                reminder: '[priority] ⚠️ label needed',
+              },
+            ];
+
+            const labelsToAdd = [];
+            const labelsToRemove = [];
+            const evaluations = [];
+
+            console.log(`::group::Issue label check for #${issueNumber}`);
+            console.log(`Event action: ${action}`);
+            if (changedLabel) {
+              console.log(`Event label: ${changedLabel}`);
+            }
+            console.log(
+              `Current labels: ${labels.length > 0 ? labels.join(', ') : '(none)'}`,
+            );
+
+            for (const { prefix, reminder } of requirements) {
+              const matchingRealLabels = labels.filter(
+                (name) => name.startsWith(prefix) && name !== reminder,
+              );
+              const hasRealLabel = matchingRealLabels.length > 0;
+              const hasReminderLabel = labels.includes(reminder);
+
+              evaluations.push({
+                prefix,
+                reminder,
+                matchingRealLabels,
+                hasReminderLabel,
+              });
+
+              if (hasRealLabel && hasReminderLabel) {
+                labelsToRemove.push(reminder);
+              } else if (!hasRealLabel && !hasReminderLabel) {
+                labelsToAdd.push(reminder);
+              }
+            }
+
+            for (const evaluation of evaluations) {
+              if (evaluation.matchingRealLabels.length > 0) {
+                console.log(
+                  `Found required ${evaluation.prefix}label(s): ${evaluation.matchingRealLabels.join(', ')}`,
+                );
+              } else {
+                console.log(`Missing required ${evaluation.prefix}label.`);
+              }
+
+              if (evaluation.hasReminderLabel) {
+                console.log(`Reminder label already present: ${evaluation.reminder}`);
+              }
+            }
+
+            if (labelsToAdd.length > 0) {
+              console.log(`Adding reminder labels: ${labelsToAdd.join(', ')}`);
+              await github.rest.issues.addLabels({
+                owner: context.repo.owner,
+                repo: context.repo.repo,
+                issue_number: context.issue.number,
+                labels: labelsToAdd,
+              });
+            }
+
+            for (const name of labelsToRemove) {
+              console.log(`Removing reminder label: ${name}`);
+              await github.rest.issues.removeLabel({
+                owner: context.repo.owner,
+                repo: context.repo.repo,
+                issue_number: context.issue.number,
+                name,
+              });
+            }
+
+            if (labelsToAdd.length === 0 && labelsToRemove.length === 0) {
+              console.log('No label changes required.');
+            }
+
+            console.log('::endgroup::');
+
+            if (process.env.GITHUB_STEP_SUMMARY) {
+              const summaryLines = [
+                '### Issue Label Check',
+                `- Issue: #${issueNumber}`,
+                `- Event: ${action}`,
+                `- Trigger label: ${changedLabel ?? '(none)'}`,
+                `- Current labels: ${labels.length > 0 ? labels.join(', ') : '(none)'}`,
+                '',
+                '#### Requirement status',
+                ...evaluations.map((evaluation) => {
+                  const status =
+                    evaluation.matchingRealLabels.length > 0
+                      ? `found ${evaluation.matchingRealLabels.join(', ')}`
+                      : 'missing';
+                  const reminder = evaluation.hasReminderLabel
+                    ? `reminder present: ${evaluation.reminder}`
+                    : `reminder absent: ${evaluation.reminder}`;
+                  return `- ${evaluation.prefix}: ${status}; ${reminder}`;
+                }),
+                '',
+                `- Labels to add: ${labelsToAdd.length > 0 ? labelsToAdd.join(', ') : '(none)'}`,
+                `- Labels to remove: ${labelsToRemove.length > 0 ? labelsToRemove.join(', ') : '(none)'}`,
+              ];
+
+              fs.appendFileSync(
+                process.env.GITHUB_STEP_SUMMARY,
+                `${summaryLines.join('\n')}\n`,
+              );
+            }
diff --git a/.github/workflows/pr-labels.yml b/.github/workflows/pr-labels.yml
index 642cd3184..25710633b 100644
--- a/.github/workflows/pr-labels.yml
+++ b/.github/workflows/pr-labels.yml
@@ -9,6 +9,9 @@
 # (e.g. by manual labeling, another workflow, or GitHub App).
 #
 # These are separate GitHub events, so two workflow runs can be started.
+# The `concurrency` configuration below ensures that only the latest run
+# for the same PR remains active, canceling any previous in-progress
+# run.
 
 name: PR labels check
 
@@ -16,6 +19,10 @@ on:
   pull_request_target:
     types: [opened, labeled, unlabeled, synchronize]
 
+concurrency:
+  group: pr-labels-${{ github.event.pull_request.number }}
+  cancel-in-progress: true
+
 permissions:
   pull-requests: read
 
diff --git a/.github/workflows/release-pr.yml b/.github/workflows/release-pr.yml
index 0e716c27e..3fa073b90 100644
--- a/.github/workflows/release-pr.yml
+++ b/.github/workflows/release-pr.yml
@@ -48,7 +48,7 @@ jobs:
           gh pr create \
             --base ${{ env.DEFAULT_BRANCH }} \
             --head ${{ env.SOURCE_BRANCH }} \
-            --title "Release: merge ${{ env.SOURCE_BRANCH }} into ${{ env.DEFAULT_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 }}\`.
 
diff --git a/docs/dev/adp_implementation.md b/docs/dev/adp_implementation.md
deleted file mode 100644
index 4d66e0b74..000000000
--- a/docs/dev/adp_implementation.md
+++ /dev/null
@@ -1,321 +0,0 @@
-# ADP Implementation Plan
-
-**Date:** 2026-04-12 **Status:** Design approved — awaiting
-implementation
-
----
-
-## 1. Goal
-
-Extend ADP (Atomic Displacement Parameter) support from the current
-Biso-only implementation to all four CIF-standard types: **Biso**,
-**Uiso**, **Bani**, **Uani**. The design uses type-neutral parameter
-names (`adp_iso`, `adp_11`…`adp_23`) so that switching ADP type is a
-one-line operation on `adp_type` without creating or destroying
-parameters.
-
----
-
-## 2. Design Summary
-
-### 2.1 Two Sibling Collections on Structure
-
-Following CIF conventions (`_atom_site` + `_atom_site_aniso` are
-separate loops), the structure owns two sibling collections:
-
-```
-Structure
-├── cell              (CategoryItem)
-├── space_group       (CategoryItem)
-├── atom_sites        (CategoryCollection of AtomSite)
-└── atom_site_aniso   (CategoryCollection of AtomSiteAniso)
-```
-
-Every atom always has an entry in both collections, kept in sync by
-`Structure._update_categories()`. This eliminates conditional existence
-checks throughout the codebase.
-
-### 2.2 Type-Neutral Parameter Names
-
-Parameters on `AtomSite` and `AtomSiteAniso` use type-neutral names
-whose physical meaning is determined by `atom_site.adp_type`:
-
-| Parameter  | Location        | CIF names (order depends on `adp_type`)                  |
-| ---------- | --------------- | -------------------------------------------------------- |
-| `adp_type` | `AtomSite`      | `_atom_site.adp_type`                                    |
-| `adp_iso`  | `AtomSite`      | `_atom_site.B_iso_or_equiv`, `_atom_site.U_iso_or_equiv` |
-| `adp_11`   | `AtomSiteAniso` | `_atom_site_aniso.B_11`, `_atom_site_aniso.U_11`         |
-| `adp_22`   | `AtomSiteAniso` | `_atom_site_aniso.B_22`, `_atom_site_aniso.U_22`         |
-| `adp_33`   | `AtomSiteAniso` | `_atom_site_aniso.B_33`, `_atom_site_aniso.U_33`         |
-| `adp_12`   | `AtomSiteAniso` | `_atom_site_aniso.B_12`, `_atom_site_aniso.U_12`         |
-| `adp_13`   | `AtomSiteAniso` | `_atom_site_aniso.B_13`, `_atom_site_aniso.U_13`         |
-| `adp_23`   | `AtomSiteAniso` | `_atom_site_aniso.B_23`, `_atom_site_aniso.U_23`         |
-
-### 2.3 Dual CIF Names — Static Read, Reordered Write
-
-Each parameter's `CifHandler` carries both CIF name variants. The
-existing infrastructure handles this:
-
-- **Reading (deserialization):** `param_from_cif()` and
-  `category_collection_from_cif()` iterate `_cif_handler.names` and stop
-  at the first match. A CIF file with `_atom_site.U_iso_or_equiv` is
-  read correctly regardless of name order.
-- **Writing (serialization):** `param_to_cif()` and
-  `category_collection_to_cif()` always use `names[0]`. The `adp_type`
-  setter reorders the `names` list so that the correct CIF tag is
-  emitted first.
-
-Example — when `adp_type` changes from `'Biso'` to `'Uiso'`:
-
-```python
-# adp_type setter reorders CIF names on adp_iso
-self._adp_iso._cif_handler._names = [
-    '_atom_site.U_iso_or_equiv',
-    '_atom_site.B_iso_or_equiv',
-]
-```
-
-No new core CIF infrastructure is needed.
-
-### 2.4 ADP Type Enum
-
-```python
-class AdpTypeEnum(str, Enum):
-    BISO = 'Biso'
-    UISO = 'Uiso'
-    BANI = 'Bani'
-    UANI = 'Uani'
-```
-
-`adp_type` on `AtomSite` is a `StringDescriptor` validated by
-`MembershipValidator(allowed=...)` using all four enum values.
-
-### 2.5 Auto-Conversion on Type Switch
-
-Setting `adp_type` triggers value conversion. The physics:
-
-- **B ↔ U (isotropic):** `B = 8π²U`
-- **Iso → Ani:** diagonal `adp_11 = adp_22 = adp_33 = adp_iso`,
-  off-diagonal `adp_12 = adp_13 = adp_23 = 0`
-- **Ani → Iso:** `adp_iso = (adp_11 + adp_22 + adp_33) / 3`
-
-The `adp_type` setter on `AtomSite` performs the conversion and updates
-both the isotropic parameter and the aniso parameters on the sibling
-collection.
-
-### 2.6 Collection Sync via `_update_categories()`
-
-`Structure._update_categories()` reconciles the two collections:
-
-| Event                              | Sync action                                               |
-| ---------------------------------- | --------------------------------------------------------- |
-| Atom added to `atom_sites`         | Create matching `AtomSiteAniso` entry with defaults (0.0) |
-| Atom removed from `atom_sites`     | Remove matching `AtomSiteAniso` entry                     |
-| Atom label renamed in `atom_sites` | Rekey the matching `AtomSiteAniso` entry                  |
-
-The sync is driven by the dirty flag — any parameter or collection
-change sets `_need_categories_update = True`, and the next
-serialization, plot, or fit call triggers `_update_categories()`.
-
-### 2.7 Inactive Aniso Values
-
-When `adp_type` is `'Biso'` or `'Uiso'`, the aniso parameters exist with
-value `0.0` but are not read by calculators. This avoids introducing
-`None` into the `float`-based `Parameter` system.
-
----
-
-## 3. User-Facing API
-
-### 3.1 Parameter Access Pattern
-
-Parameters are accessed via the standard two-level pattern:
-
-```python
-# CategoryItem.Parameter
-structure.cell.length_a = 3.88
-
-# CategoryCollection[item_id].Parameter
-structure.atom_sites['Si'].adp_type = 'Biso'
-structure.atom_sites['Si'].adp_iso = 0.47
-structure.atom_site_aniso['Si'].adp_11 = 0.05
-```
-
-### 3.2 Switching ADP Type
-
-```python
-# Switch from Biso to Uiso — auto-converts value
-structure.atom_sites['Si'].adp_type = 'Uiso'
-# adp_iso now holds U_iso value (B / 8π²)
-
-# Switch to anisotropic — seeds diagonal from iso
-structure.atom_sites['Si'].adp_type = 'Uani'
-# atom_site_aniso['Si'].adp_11/22/33 seeded from adp_iso
-# adp_iso recalculated as mean of diagonal
-
-# Switch back to isotropic — collapses tensor to scalar
-structure.atom_sites['Si'].adp_type = 'Biso'
-# adp_iso = mean(adp_11, adp_22, adp_33), converted B→U if needed
-```
-
-### 3.3 Creating Atoms
-
-```python
-# adp_iso replaces the old b_iso keyword
-structure.atom_sites.create(
-    label='Si',
-    type_symbol='Si',
-    fract_x=0.0,
-    fract_y=0.0,
-    fract_z=0.0,
-    adp_type='Biso',
-    adp_iso=0.47,
-)
-# atom_site_aniso['Si'] is auto-created by _update_categories()
-```
-
-### 3.4 CIF Output
-
-```cif
-loop_
-_atom_site.label
-_atom_site.type_symbol
-_atom_site.fract_x
-_atom_site.fract_y
-_atom_site.fract_z
-_atom_site.adp_type
-_atom_site.B_iso_or_equiv
-_atom_site.occupancy
-Si  Si  0.00000000  0.00000000  0.00000000  Biso  0.47000000  1.00000000
-
-loop_
-_atom_site_aniso.label
-_atom_site_aniso.B_11
-_atom_site_aniso.B_22
-_atom_site_aniso.B_33
-_atom_site_aniso.B_12
-_atom_site_aniso.B_13
-_atom_site_aniso.B_23
-Si  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
-```
-
-When `adp_type = 'Uiso'`, the CIF tag becomes
-`_atom_site.U_iso_or_equiv` and the aniso loop uses
-`_atom_site_aniso.U_*` tags.
-
----
-
-## 4. Implementation Phases
-
-### Phase 1: Rename `b_iso` → `adp_iso` and Expand `adp_type`
-
-**Files to modify:**
-
-1. **`atom_sites/default.py`** — `AtomSite`:
-   - Rename `_b_iso` Parameter to `_adp_iso` with dual CIF names
-     `['_atom_site.B_iso_or_equiv', '_atom_site.U_iso_or_equiv']`.
-   - Expand `_adp_type` validator to accept all four values from
-     `AdpTypeEnum`.
-   - Add `adp_type` setter logic: reorder CIF names on `_adp_iso`,
-     perform B↔U conversion.
-   - Rename property `b_iso` → `adp_iso`.
-
-2. **`atom_sites/enums.py`** (new) — `AdpTypeEnum` with BISO, UISO,
-   BANI, UANI members plus `default()` and `description()` methods.
-
-3. **Calculator bridges** — update `cryspy.py` and `crysfml.py` to read
-   `atom.adp_iso.value` instead of `atom.b_iso.value`, and pass the
-   correct type based on `atom.adp_type.value`.
-
-4. **CIF data files** — update all `.cif` files in `data/` that
-   reference `b_iso`.
-
-5. **Tutorials** — update all `*.py` scripts that use `b_iso`.
-
-6. **Tests** — update all unit/functional/integration tests.
-
-### Phase 2: Add `AtomSiteAniso` Sibling Collection
-
-**Files to create:**
-
-1. **`atom_site_aniso/`** package under
-   `datablocks/structure/categories/`:
-   - `__init__.py` — imports `AtomSiteAniso` and
-     `AtomSiteAnisoCollection`.
-   - `default.py` — `AtomSiteAniso` (CategoryItem) with `label`
-     (StringDescriptor) and six Parameters (`adp_11`…`adp_23`) each with
-     dual CIF names. `AtomSiteAnisoCollection` (CategoryCollection).
-   - `factory.py` — `AtomSiteAnisoFactory`.
-   - `enums.py` — if needed (likely shared with Phase 1 enum).
-
-2. **`structure/item/base.py`** — add `_atom_site_aniso` attribute and
-   `atom_site_aniso` read-only property on Structure.
-
-3. **`structure/item/base.py`** — override `_update_categories()` to
-   reconcile `atom_sites` and `atom_site_aniso` collections (add
-   missing, remove stale, rekey on label change).
-
-**Files to modify:**
-
-4. **`atom_sites/default.py`** — `adp_type` setter also reorders CIF
-   names on all six aniso parameters (accessed via parent structure's
-   `atom_site_aniso` collection).
-
-5. **Calculator bridges** — when `adp_type` is `'Bani'` or `'Uani'`,
-   read from `atom_site_aniso[label]` instead of `adp_iso`.
-
-6. **CIF serialization** — works automatically (Structure's `as_cif`
-   emits all CategoryCollections found in `vars(self)`).
-
-### Phase 3: ADP Symmetry Constraints
-
-1. **`crystallography.py`** — add symmetry constraint functions for
-   anisotropic ADPs based on space group and Wyckoff position.
-
-2. **`AtomSites._update()`** — call aniso symmetry constraints in
-   addition to coordinate constraints.
-
----
-
-## 5. Breaking Changes
-
-| Change                                    | Scope                             | Migration                          |
-| ----------------------------------------- | --------------------------------- | ---------------------------------- |
-| `b_iso` → `adp_iso`                       | All code referencing `atom.b_iso` | Mechanical rename (greppable)      |
-| `b_iso=0.5` → `adp_iso=0.5` in `create()` | Tutorials, tests, user scripts    | Mechanical rename                  |
-| New `atom_site_aniso` on Structure        | Structure API surface grows       | Additive — no existing code breaks |
-
-The project is in beta, so no deprecation path is needed.
-
----
-
-## 6. Design Decisions
-
-### Why type-neutral names (`adp_iso`) instead of type-specific (`b_iso`, `u_iso`)?
-
-With type-specific names, switching ADP type would require
-creating/destroying parameters, migrating constraints and free flags,
-and updating every reference. Type-neutral names make switching a
-one-liner on `adp_type` — the parameter object stays the same, only its
-value and CIF tag change.
-
-### Why always-present aniso collection instead of on-demand?
-
-Conditional existence of `atom_site_aniso` would require guards
-everywhere: serialization, calculators, parameter tables, constraint
-wiring, UI. Always-present with 0.0 defaults eliminates all those
-branches.
-
-### Why sync via `_update_categories()` instead of coupled add/remove?
-
-Loose coupling: `AtomSites` and `AtomSiteAnisoCollection` don't know
-about each other. `Structure` coordinates them at update time. This
-follows the existing dirty-flag pattern and keeps categories
-independent.
-
-### Why reorder `_cif_handler.names` instead of dynamic CIF handler?
-
-The existing serialization/deserialization pipeline uses `names[0]` for
-writing and iterates all names for reading. Reordering the list is a
-2-line operation in the `adp_type` setter with zero core infrastructure
-changes.
diff --git a/docs/dev/architecture.md b/docs/dev/architecture.md
index 6cb8c67e2..390aa77bd 100644
--- a/docs/dev/architecture.md
+++ b/docs/dev/architecture.md
@@ -338,7 +338,8 @@ per-key flags.
 
 ADP support covers four CIF-standard types: **Biso**, **Uiso**,
 **Bani**, **Uani**. The design uses **type-neutral parameter names** so
-that switching type is a one-line operation on `adp_type`.
+that switching type is a one-line operation on `adp_type`: parameter
+objects stay stable while their values and CIF output names change.
 
 **Two sibling collections.** Following CIF conventions (`_atom_site` and
 `_atom_site_aniso` are separate loops), isotropic and anisotropic data
@@ -346,27 +347,96 @@ live in separate collections on `Structure`. Every atom always has an
 entry in both collections; when `adp_type` is isotropic, the aniso
 parameters hold `0.0` and are ignored by calculators.
 
-**Type-neutral names.** `atom_site.adp_iso` is the type-neutral
-isotropic ADP parameter. Its physical meaning (B or U) is determined by
-`atom_site.adp_type`. Similarly, `atom_site_aniso.adp_11`…`adp_23` are
+```shell
+Structure
+├── cell              (CategoryItem)
+├── space_group       (CategoryItem)
+├── atom_sites        (CategoryCollection of AtomSite)
+└── atom_site_aniso   (CategoryCollection of AtomSiteAniso)
+```
+
+**Type-neutral names.** `atom_site.adp_iso` is the isotropic ADP
+parameter. Its physical meaning (B or U) is determined by
+`atom_site.adp_type`. Similarly, `atom_site_aniso.adp_11`...`adp_23` are
 type-neutral tensor components.
 
+| Parameter  | Location        | CIF names                                                |
+| ---------- | --------------- | -------------------------------------------------------- |
+| `adp_type` | `AtomSite`      | `_atom_site.adp_type`                                    |
+| `adp_iso`  | `AtomSite`      | `_atom_site.B_iso_or_equiv`, `_atom_site.U_iso_or_equiv` |
+| `adp_11`   | `AtomSiteAniso` | `_atom_site_aniso.B_11`, `_atom_site_aniso.U_11`         |
+| `adp_22`   | `AtomSiteAniso` | `_atom_site_aniso.B_22`, `_atom_site_aniso.U_22`         |
+| `adp_33`   | `AtomSiteAniso` | `_atom_site_aniso.B_33`, `_atom_site_aniso.U_33`         |
+| `adp_12`   | `AtomSiteAniso` | `_atom_site_aniso.B_12`, `_atom_site_aniso.U_12`         |
+| `adp_13`   | `AtomSiteAniso` | `_atom_site_aniso.B_13`, `_atom_site_aniso.U_13`         |
+| `adp_23`   | `AtomSiteAniso` | `_atom_site_aniso.B_23`, `_atom_site_aniso.U_23`         |
+
+`adp_type` is a `StringDescriptor` validated against `AdpTypeEnum`
+(`Biso`, `Uiso`, `Bani`, `Uani`).
+
 **Dual CIF names.** Each parameter's `CifHandler` carries both CIF name
 variants (e.g.
 `['_atom_site.B_iso_or_equiv', '_atom_site.U_iso_or_equiv']`). Reading
 tries each name until a match is found; writing uses `names[0]`. The
 `adp_type` setter reorders the list so the correct tag is emitted.
 
+For example, switching from `Biso` to `Uiso` makes
+`_atom_site.U_iso_or_equiv` the first CIF name on `adp_iso`; switching
+from `Bani` to `Uani` does the same for all six `_atom_site_aniso.U_*`
+tensor tags. No dynamic CIF handler is needed.
+
 **Auto-conversion.** Setting `adp_type` triggers value conversion: B ↔ U
 via `B = 8π²U`; iso → ani seeds the diagonal; ani → iso averages the
 diagonal.
 
+| Transition | Conversion rule                                                       |
+| ---------- | --------------------------------------------------------------------- |
+| B ↔ U      | `B = 8π²U`                                                            |
+| Iso → Ani  | `adp_11 = adp_22 = adp_33 = adp_iso`; off-diagonal terms become `0.0` |
+| Ani → Iso  | `adp_iso = (adp_11 + adp_22 + adp_33) / 3`                            |
+
 **Collection sync.** `Structure._update_categories()` reconciles the two
 collections: adds missing aniso entries, removes stale ones, and rekeys
-on label rename.
+on label rename. Sync follows the datablock dirty-flag pattern: category
+or parameter changes mark the structure as needing an update, and the
+next serialisation, plot, or fit call performs the reconciliation.
+
+| Event                              | Sync action                                               |
+| ---------------------------------- | --------------------------------------------------------- |
+| Atom added to `atom_sites`         | Create matching `AtomSiteAniso` entry with `0.0` defaults |
+| Atom removed from `atom_sites`     | Remove matching `AtomSiteAniso` entry                     |
+| Atom label renamed in `atom_sites` | Rekey the matching `AtomSiteAniso` entry                  |
+
+**User-facing access.** ADP parameters follow the same two-level access
+pattern as other category parameters:
+
+```python
+structure.atom_sites['Si'].adp_type = 'Biso'
+structure.atom_sites['Si'].adp_iso = 0.47
+structure.atom_site_aniso['Si'].adp_11 = 0.05
+```
+
+Creating an atom uses `adp_iso`; the matching `atom_site_aniso` entry is
+created by `_update_categories()`:
+
+```python
+structure.atom_sites.create(
+    label='Si',
+    type_symbol='Si',
+    fract_x=0.0,
+    fract_y=0.0,
+    fract_z=0.0,
+    adp_type='Biso',
+    adp_iso=0.47,
+)
+```
 
-See [`adp_implementation.md`](adp_implementation.md) for the full
-implementation plan.
+**Design rule.** ADP parameter names are type-neutral because
+type-specific names (`b_iso`, `u_iso`, etc.) would require replacing
+parameter objects when the ADP type changes, which would break
+constraints, free flags, and existing references. The always-present
+`atom_site_aniso` collection avoids conditional branches in
+serialisation, calculators, parameter tables, constraint wiring, and UI.
 
 ---
 
diff --git a/docs/dev/cryspy-dwf-bug.md b/docs/dev/cryspy-dwf-bug.md
deleted file mode 100644
index 5f475ecc6..000000000
--- a/docs/dev/cryspy-dwf-bug.md
+++ /dev/null
@@ -1,126 +0,0 @@
-# CrysPy Bug: Wrong Rotation Matrix Indices in `calc_power_dwf_aniso`
-
-## Summary
-
-`calc_power_dwf_aniso` in CrysPy 0.7.8 reads the rotation matrix from
-the wrong slice of `reduced_symm_elems`, producing incorrect
-Debye–Waller factors for every anisotropic atom.
-
-## Affected Version
-
-CrysPy **0.7.8** (and likely all versions sharing this code path).
-
-## Location
-
-`cryspy/A_functions_base/debye_waller_factor.py`, function
-`calc_power_dwf_aniso`, around line 177.
-
-## Root Cause
-
-`reduced_symm_elems` has shape `(13, N_symmetry_operations)` with the
-following layout per column:
-
-| Indices | Content                             |
-| ------- | ----------------------------------- |
-| 0–3     | Translation: $b_1, b_2, b_3, b_d$   |
-| 4–12    | Rotation matrix $R$ (row-major 3×3) |
-
-The buggy code extracts the rotation matrix from indices **0–8** (i.e.
-`symm_elems_r[0:9]`), which mixes the translation vector into the
-rotation matrix:
-
-```python
-# BUGGY (current code)
-r_11, r_12, r_13 = symm_elems_r[0], symm_elems_r[1], symm_elems_r[2]
-r_21, r_22, r_23 = symm_elems_r[3], symm_elems_r[4], symm_elems_r[5]
-r_31, r_32, r_33 = symm_elems_r[6], symm_elems_r[7], symm_elems_r[8]
-```
-
-The correct indices are **4–12**:
-
-```python
-# FIXED
-r_11, r_12, r_13 = symm_elems_r[4], symm_elems_r[5], symm_elems_r[6]
-r_21, r_22, r_23 = symm_elems_r[7], symm_elems_r[8], symm_elems_r[9]
-r_31, r_32, r_33 = symm_elems_r[10], symm_elems_r[11], symm_elems_r[12]
-```
-
-For comparison, `calc_pr1` in the same codebase (structure factor phase
-calculation) correctly uses indices 4–12 for the rotation.
-
-## Impact
-
-Every structure-factor calculation that uses anisotropic ADPs produces
-wrong results. The isotropic DWF (`calc_power_dwf_iso`) is unaffected
-and works correctly, so the bug only manifests when anisotropic
-displacement parameters ($B_\text{ani}$ or $U_\text{ani}$) are used.
-
-## Verification
-
-We verified the fix by comparing isotropic and anisotropic calculations
-for the LBCO structure (space group $I\,4/m\,m\,m$) where $B_\text{iso}$
-and the equivalent diagonal anisotropic tensor must give identical
-$|F|^2$ values:
-
-| Metric                      | Buggy code                  | Patched code |
-| --------------------------- | --------------------------- | ------------ | ------------------------------ | ---------------------- |
-| $\max                       | y*\text{iso} - y*\text{ani} | $            | ~11 (first peak: 72.1 vs 61.0) | $1.78 \times 10^{-13}$ |
-| $\chi^2$ (Biso)             | 14.98                       | 14.98        |
-| $\chi^2$ (Bani, equivalent) | 184.10                      | 14.98        |
-
-## Workaround
-
-Monkey-patch at import time (used in EasyDiffraction):
-
-```python
-from cryspy.A_functions_base import debye_waller_factor as _dwf_mod
-
-def _patched_calc_power_dwf_aniso(index_hkl, beta, symm_elems_r, flag_beta=False):
-    b_11, b_22, b_33 = beta[0], beta[1], beta[2]
-    b_12, b_13, b_23 = beta[3], beta[4], beta[5]
-    h, k, l = index_hkl[0], index_hkl[1], index_hkl[2]
-    # Corrected indices: rotation starts at 4, not 0
-    r_11, r_12, r_13 = symm_elems_r[4], symm_elems_r[5], symm_elems_r[6]
-    r_21, r_22, r_23 = symm_elems_r[7], symm_elems_r[8], symm_elems_r[9]
-    r_31, r_32, r_33 = symm_elems_r[10], symm_elems_r[11], symm_elems_r[12]
-    h_s = h * r_11 + k * r_21 + l * r_31
-    k_s = h * r_12 + k * r_22 + l * r_32
-    l_s = h * r_13 + k * r_23 + l * r_33
-    power = (
-        b_11 * np.square(h_s) + b_22 * np.square(k_s) + b_33 * np.square(l_s)
-        + 2.0 * b_12 * h_s * k_s
-        + 2.0 * b_13 * h_s * l_s
-        + 2.0 * b_23 * k_s * l_s
-    )
-    dder = {}
-    if flag_beta:
-        ones_b = np.ones_like(b_11)
-        dder['beta'] = np.stack([
-            ones_b * np.square(h_s),
-            ones_b * np.square(k_s),
-            ones_b * np.square(l_s),
-            ones_b * 2.0 * h_s * k_s,
-            ones_b * 2.0 * h_s * l_s,
-            ones_b * 2.0 * k_s * l_s,
-        ], axis=0)
-    return power, dder
-
-_dwf_mod.calc_power_dwf_aniso = _patched_calc_power_dwf_aniso
-```
-
-## Suggested Fix
-
-In `cryspy/A_functions_base/debye_waller_factor.py`, function
-`calc_power_dwf_aniso`, change:
-
-```diff
--    r_11, r_12, r_13 = symm_elems_r[0], symm_elems_r[1], symm_elems_r[2]
--    r_21, r_22, r_23 = symm_elems_r[3], symm_elems_r[4], symm_elems_r[5]
--    r_31, r_32, r_33 = symm_elems_r[6], symm_elems_r[7], symm_elems_r[8]
-+    r_11, r_12, r_13 = symm_elems_r[4], symm_elems_r[5], symm_elems_r[6]
-+    r_21, r_22, r_23 = symm_elems_r[7], symm_elems_r[8], symm_elems_r[9]
-+    r_31, r_32, r_33 = symm_elems_r[10], symm_elems_r[11], symm_elems_r[12]
-```
-
-The same correction must be applied to the analytical-derivative branch
-of the same function if it shares the same index convention.
diff --git a/docs/dev/plan_powder-chart-y-range.md b/docs/dev/plan_powder-chart-y-range.md
deleted file mode 100644
index c987fe47a..000000000
--- a/docs/dev/plan_powder-chart-y-range.md
+++ /dev/null
@@ -1,138 +0,0 @@
-# Powder Chart Y-Range Fix Plan
-
-**Date:** 2026-05-06 **Status:** Phase 2 verified — complete
-
----
-
-## 1. Goal
-
-Fix the Plotly composite powder measured-vs-calculated chart so the main
-intensity row is not anchored to zero. The y-axis range should be
-derived from all displayed main-row intensity series: measured
-(`Imeas`), calculated (`Icalc`), and background (`Ibkg`) when present.
-
-The intended display range is:
-
-```text
-lower = min(Imeas, Icalc, Ibkg) - margin
-upper = max(Imeas, Icalc, Ibkg) + margin
-```
-
-where `margin` is controlled by a dedicated constant of about 5% of the
-main intensity span. The lower bound must use `min - margin`, not
-`min + margin`, so the lowest displayed point remains visible with
-padding below it.
-
----
-
-## 2. Current Findings
-
-- The affected code is `PlotlyPlotter._get_main_intensity_range()` in
-  `src/easydiffraction/display/plotters/plotly.py`.
-- It currently uses only `y_meas` and `y_calc`, then forces
-  `lower_limit = min(0.0, main_y_min)`. That explains positive powder
-  charts being truncated to a `0..max` range.
-- `PowderMeasVsCalcSpec` already carries optional `y_bkg`, and
-  `Plotter._plot_meas_vs_calc_data()` already filters
-  `pattern.intensity_bkg` into the spec for powder Bragg plots.
-- Existing Plotly unit tests assert the current `0.0..max` y-range in
-  the residual scale-match tests, so those expectations must change.
-- Repository memory notes confirm the background line is part of the
-  composite powder plot and should be considered display data.
-
----
-
-## 3. Scope
-
-### In Scope
-
-- Add a module-level constant in
-  `src/easydiffraction/display/plotters/plotly.py`, likely
-  `MAIN_INTENSITY_RANGE_MARGIN_FRACTION = 0.05`.
-- Update `_get_main_intensity_range()` to compute min/max over `y_meas`,
-  `y_calc`, and non-empty `y_bkg` when present.
-- Apply symmetric visual padding outside the data range using the new
-  constant.
-- Preserve the existing empty-filtered-range behavior: empty required
-  series should still return a harmless fallback range.
-- Preserve residual scale matching by letting `_get_residual_limit()`
-  use the newly padded main range and the existing
-  `residual_height_fraction`, so the residual row remains adjusted to
-  the main row size as it is now.
-- Add/update focused unit tests for range calculation and affected
-  residual-scale expectations.
-
-### Out of Scope
-
-- No public plotting API changes.
-- No user-configurable y-axis margin in this step.
-- No changes to ASCII plotting unless a later review shows the same main
-  view problem exists there.
-- No refactor of plot layout, Bragg tick sizing, hover templates, or
-  facade routing.
-
----
-
-## 4. Decisions
-
-- Use `min(Imeas, Icalc, Ibkg) - margin` for the lower y-axis bound and
-  `max(Imeas, Icalc, Ibkg) + margin` for the upper y-axis bound.
-- Keep the residual plot scaled to the main intensity row, preserving
-  the current matched-scale behavior after the main range gains padding.
-
----
-
-## 5. Implementation Checklist
-
-- [ ] Create branch `feature/powder-chart-y-range` if requested.
-- [x] In `src/easydiffraction/display/plotters/plotly.py`, add the
-      dedicated 5% y-range margin constant near the other Plotly layout
-      constants.
-- [x] Update `_get_main_intensity_range()` so it includes background
-      intensity when available and uses the padded min/max range instead
-      of anchoring positive data to zero.
-- [x] Keep zero-span data explicit and stable, using a small fallback
-      range around the datum because a percentage margin is undefined.
-- [x] Confirm `_get_residual_limit()` continues to scale the residual
-      row from the updated main y-range and existing residual height
-      fraction.
-- [x] Stop after Phase 1 and request review before adding or running
-      tests, following the repo workflow.
-
----
-
-## 6. Phase 2 Verification Checklist
-
-- [x] Add or update tests in
-      `tests/unit/easydiffraction/display/plotters/test_plotly.py` for:
-  - positive-only `Imeas`/`Icalc` data no longer starting at zero;
-  - `Ibkg` lowering or raising the main y-range when present;
-  - 5% padding on both ends of the main row;
-  - residual scale-match expectations after padding changes the main row
-    span;
-  - empty filtered arrays retaining the existing fallback behavior.
-- [x] Keep the existing facade propagation test in
-      `tests/unit/easydiffraction/display/test_plotting.py` unless the
-      implementation reveals a missing background handoff case.
-- [x] Run `pixi run fix`.
-- [x] Run `pixi run check` until clean.
-- [x] Run `pixi run unit-tests`.
-- [x] Run `pixi run integration-tests`.
-- [x] Run `pixi run script-tests`.
-
----
-
-## 7. Likely Files
-
-- `src/easydiffraction/display/plotters/plotly.py`
-- `tests/unit/easydiffraction/display/plotters/test_plotly.py`
-- `tests/unit/easydiffraction/display/test_plotting.py` only if a
-  facade-level test gap is discovered during verification.
-
----
-
-## 8. Suggested Commit Message
-
-```text
-Fix powder chart y-axis range
-```
diff --git a/docs/docs/installation-and-setup/index.md b/docs/docs/installation-and-setup/index.md
index fdea87bfc..41036f1d9 100644
--- a/docs/docs/installation-and-setup/index.md
+++ b/docs/docs/installation-and-setup/index.md
@@ -244,9 +244,10 @@ once using the command line, as shown below.
 
 - Navigate to your existing Pixi project, created as described in the
   [Installing with Pixi](#installing-with-pixi) section.
-- Add JupyterLab and the Pixi kernel for Jupyter:
+- Add JupyterLab, Interactive Python shell and the Pixi kernel for
+  Jupyter:
   ```txt
-  pixi add --pypi jupyterlab pixi-kernel
+  pixi add --pypi jupyterlab ipython pixi-kernel
   ```
 - Download all the EasyDiffraction tutorials to the `tutorials/`
   directory:
@@ -263,9 +264,10 @@ once using the command line, as shown below.
 
 ### Classical Run Tutorials Locally
 
-- Install Jupyter Notebook and IPython kernel:
+- Install Jupyter Notebook, Interactive Python shell and the IPython
+  kernel:
   ```txt
-  pip install notebook ipykernel
+  pip install notebook ipython ipykernel
   ```
 - Add the virtual environment as a Jupyter kernel:
   ```txt
diff --git a/pixi.lock b/pixi.lock
index 36a2ecb00..4ff7fdb61 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -2,6 +2,7 @@ version: 6
 environments:
   default:
     channels:
+    - url: https://conda.anaconda.org/nodefaults/
     - url: https://conda.anaconda.org/conda-forge/
     indexes:
     - https://pypi.org/simple
@@ -19,7 +20,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.3.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-26.1.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.18.0-pyhcf101f3_1.conda
-      - conda: https://conda.anaconda.org/conda-forge/noarch/backports.zstd-1.3.0-py314h680f03e_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/backports.zstd-1.4.0-py314h680f03e_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.14.3-pyha770c72_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.3.0-pyhcf101f3_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.3.0-hbca2aae_1.conda
@@ -65,7 +66,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.8.0-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.1-pyhcf101f3_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.17.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.18.2-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.5.7-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda
@@ -82,7 +83,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libcblas-3.11.0-6_h0358290_openblas.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20250104-pl5321h7949ede_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libev-4.33-hd590300_2.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.5-hecca717_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.8.0-hecca717_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.5.2-h3435931_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-15.2.0-he0feb66_18.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-15.2.0-h69a702a_18.conda
@@ -94,14 +95,14 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.68.1-h877daf1_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libopenblas-0.3.32-pthreads_h94d23a6_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libsodium-1.0.21-h280c20c_3.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.53.0-hf4e2dac_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.53.1-h0c1763c_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-15.2.0-h934c35e_18.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libuuid-2.42-h5347b49_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libuv-1.51.0-hb03c661_1.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libzlib-1.3.2-h25fd6f3_2.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/markupsafe-3.0.3-py314h67df5f8_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.1-pyhd8ed1ab_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.2.0-pyhcf101f3_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.2.1-pyhcf101f3_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/msgspec-0.21.1-py314h5bd0f2a_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.10.4-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.17.1-pyhcf101f3_0.conda
@@ -114,7 +115,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-26.2-pyhc364b38_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2
-      - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.6-pyhcf101f3_0.conda
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   size: 11627
   timestamp: 1631603397334
-- conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.6-pyhcf101f3_0.conda
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-  md5: 97c1ce2fffa1209e7afb432810ec6e12
+- conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.7-pyhcf101f3_0.conda
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+  md5: 39894c952938276405a1bd30e4ce2caf
   depends:
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   - python
   license: MIT
   license_family: MIT
   purls:
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-  size: 82287
-  timestamp: 1770676243987
+  - pkg:pypi/parso?source=compressed-mapping
+  size: 82472
+  timestamp: 1777722955579
 - pypi: https://files.pythonhosted.org/packages/71/e7/40fb618334dcdf7c5a316c0e7343c5cd82d3d866edc100d98e29bc945ecd/partd-1.4.2-py3-none-any.whl
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 - conda: https://conda.anaconda.org/conda-forge/noarch/pixi-kernel-0.7.1-pyhbbac1ac_0.conda
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   requires_dist:
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-- pypi: https://files.pythonhosted.org/packages/d8/db/795879cc3ddfe338599bddea6388cc5100b088db0a4caf6e6c1af1c27e04/python_discovery-1.2.2-py3-none-any.whl
+- pypi: https://files.pythonhosted.org/packages/30/d4/24d543ab8b8158b7f5a97113c831205f5c900c92c8762b1e7f44b7ea0405/python_discovery-1.3.0-py3-none-any.whl
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@@ -10018,7 +10821,7 @@ packages:
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   purls:
-  - pkg:pypi/pyyaml?source=compressed-mapping
+  - pkg:pypi/pyyaml?source=hash-mapping
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 - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyyaml-6.0.3-py312h04c11ed_1.conda
@@ -11350,19 +12153,18 @@ packages:
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   requires_python: '>=3.10'
-- conda: https://conda.anaconda.org/conda-forge/win-64/tbb-2022.3.0-h3155e25_2.conda
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-  md5: 0f9817ffbe25f9e69ceba5ea70c52606
+- conda: https://conda.anaconda.org/conda-forge/win-64/tbb-2023.0.0-ha3553a1_1.conda
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+  md5: 34aa94d586fe95fa121966c0d4e73cf4
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   - ucrt >=10.0.20348.0
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   license: Apache-2.0
-  license_family: APACHE
   purls: []
-  size: 155869
-  timestamp: 1767886839029
+  size: 156910
+  timestamp: 1777976465531
 - conda: https://conda.anaconda.org/conda-forge/noarch/terminado-0.18.1-pyh6dadd2b_1.conda
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-- conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.14.3-pyhd8ed1ab_1.conda
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-  md5: 019a7385be9af33791c989871317e1ed
+- conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.15.0-pyhcf101f3_0.conda
+  sha256: dfb681579be59c2e790c95f7f49b7529a9b0511d6385ad276e3c8988cbd54d2c
+  md5: 4bada6a6d908a27262af8ebddf4f7492
   depends:
-  - python >=3.9
+  - python >=3.10
+  - python
   license: BSD-3-Clause
-  license_family: BSD
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-  size: 110051
-  timestamp: 1733367480074
+  - pkg:pypi/traitlets?source=compressed-mapping
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+  timestamp: 1778074251714
 - pypi: https://files.pythonhosted.org/packages/8d/c0/fdf9d3ee103ce66a55f0532835ad5e154226c5222423c6636ba049dc42fc/traittypes-0.2.3-py2.py3-none-any.whl
   name: traittypes
   version: 0.2.3
@@ -11780,10 +12582,10 @@ packages:
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   - pretend ; extra == 'test'
   - pytest ; extra == 'test'
-- pypi: https://files.pythonhosted.org/packages/4b/eb/03bfb1299d4c4510329e470f13f9a4ce793df7fcb5a2fd3510f911066f61/virtualenv-21.3.0-py3-none-any.whl
+- pypi: https://files.pythonhosted.org/packages/b1/4f/f71e641e504111a5a74e3a20bc52d01bd86788b22699dd3fee1c63253cf6/virtualenv-21.3.1-py3-none-any.whl
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-  sha256: 4d28ee41f6d9ec8f1f00cd472b9ffbcedda1b3d3b9a575b5c94a2d004fd51bd7
+  version: 21.3.1
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   - distlib>=0.3.7,<1
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@@ -11821,17 +12623,17 @@ packages:
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-- conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.6.0-pyhd8ed1ab_0.conda
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+- conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.7.0-pyhd8ed1ab_0.conda
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+  md5: eb9538b8e55069434a18547f43b96059
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   license: MIT
   license_family: MIT
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-  timestamp: 1770634638503
+  - pkg:pypi/wcwidth?source=compressed-mapping
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+  timestamp: 1777744489106
 - conda: https://conda.anaconda.org/conda-forge/noarch/webcolors-25.10.0-pyhd8ed1ab_0.conda
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diff --git a/pixi.toml b/pixi.toml
index 546620d4a..958851cf2 100644
--- a/pixi.toml
+++ b/pixi.toml
@@ -1,27 +1,3 @@
-#######################
-# ENVIRONMENT VARIABLES
-#######################
-
-# Platform-independent
-
-[activation.env]
-PYTHONIOENCODING = 'utf-8'
-
-# Platform-specific
-
-# Ensures the main package is used from the source code during
-# development, even if main package is installed in editable mode
-# via uv. This is important because `pixi update` might replace
-# the installed version with the latest released version.
-
-# Unix/macOS
-[target.unix.activation.env]
-PYTHONPATH = "${PIXI_PROJECT_ROOT}/src${PYTHONPATH:+:${PYTHONPATH}}"
-
-# Windows
-[target.win.activation.env]
-PYTHONPATH = "${PIXI_PROJECT_ROOT}/src;%PYTHONPATH%"
-
 ###########
 # WORKSPACE
 ###########
@@ -32,49 +8,65 @@ PYTHONPATH = "${PIXI_PROJECT_ROOT}/src;%PYTHONPATH%"
 platforms = ['win-64', 'linux-64', 'osx-arm64']
 
 # Channels for fetching packages
-channels = ['conda-forge']
+channels = ['nodefaults', 'conda-forge']
 
-#####################
-# SYSTEM REQUIREMENTS
-#####################
+##########
+# FEATURES
+##########
 
-[system-requirements]
+# Default features:
 
+[activation.env]
+PYTHONIOENCODING = 'utf-8'
+
+[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)
+# like `scipp` 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'
-
 # Set minimum supported version for glibc to be 2.35 to ensure packages
 # like `crysfml` that only have wheels for glibc 2.35+
 # (manylinux_2_35_x86_64) are used.
 #libc = { family = 'glibc', version = '2.35' }
 libc = '2.35'
 
-##########
-# FEATURES
-##########
+# Non-default features:
+
+# Set specific Python versions to be used in CI testing.
+
+[feature.py-min.dependencies]
+python = '3.12.*'
+
+[feature.py-max.dependencies]
+python = '3.14.*'
 
-# Default feature configuration
+# Development dependencies for local development and testing with
+# editable installations.
 
-[dependencies]
+[feature.dev.dependencies]
 nodejs = '*'      # Required for Prettier (non-Python formatting)
 jupyterlab = '*'  # Jupyter notebooks
+ipython = '*'     # Interactive Python shell
 pixi-kernel = '*' # Pixi Jupyter kernel
 gsl = '*'         # GNU Scientific Library; required for diffpy.pdffit2
 
-[pypi-dependencies] # == [feature.default.pypi-dependencies]
-pip = '*' # Native package installer
+[feature.dev.pypi-dependencies]
+pip = '*'
 #pycrysfml = { version = ">=0.4.0", index = "https://easyscience.github.io/pypi/" }
 easydiffraction = { path = '.', editable = true, extras = ['dev'] }
 
-# Specific features: Set specific Python versions
+# User-like behavior for testing with pip-installed dependencies instead
+# of editable installations.
 
-[feature.py-min.dependencies]
-python = '3.12.*'
-[feature.py-max.dependencies]
-python = '3.14.*'
+[feature.user.dependencies]
+jupyterlab = '*'  # Jupyter notebooks
+ipython = '*'     # Interactive Python shell
+pixi-kernel = '*' # Pixi Jupyter kernel
+
+[feature.user.pypi-dependencies]
+pip = '*'
+easydiffraction = '*'
 
 ##############
 # ENVIRONMENTS
@@ -84,12 +76,18 @@ python = '3.14.*'
 
 # The `default` feature is always included in all environments.
 # Additional features can be specified per environment.
-py-312-env = { features = ['py-min'] }
-py-314-env = { features = ['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 = ['py-max'] }
+# Specific environments for CI testing with different Python versions.
+py-312-env = { features = ['py-min', 'dev'] }
+py-314-env = { features = ['py-max', 'dev'] }
+
+# The `default` environment is developer-oriented for local development
+# and testing with editable installation of the current package.
+default = { features = ['py-max', 'dev'] }
+
+# The `user` environment allows testing with pip-installed dependencies
+# instead of editable installation of the current package.
+user = { features = ['py-max', 'user'] }
 
 #######
 # TASKS
diff --git a/pyproject.toml b/pyproject.toml
index c0943384c..5faffe6b6 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -23,7 +23,6 @@ classifiers = [
 ]
 requires-python = '>=3.12'
 dependencies = [
-  'essdiffraction', # ESS-specific diffraction library
   'numpy',          # Numerical computing library
   'colorama',       # Color terminal output
   'tabulate',       # Pretty-print tabular data for terminal output
@@ -53,6 +52,7 @@ dependencies = [
 
 [project.optional-dependencies]
 dev = [
+  'essdiffraction',                  # ESS-specific diffraction library
   'GitPython',                       # Interact with Git repositories
   'build',                           # Building the package
   'pre-commit',                      # Pre-commit hooks
diff --git a/tests/integration/scipp-analysis/dream/test_package_import.py b/tests/integration/scipp-analysis/dream/test_package_import.py
index 05f80a068..45b5bc95b 100644
--- a/tests/integration/scipp-analysis/dream/test_package_import.py
+++ b/tests/integration/scipp-analysis/dream/test_package_import.py
@@ -51,28 +51,9 @@ def get_base_version(
 def test_package_import(
     package_name: str,
 ) -> None:
-    """Verify installed package is not older than PyPI latest version.
-
-    Uses >= comparison to support both:
-    - Real releases where installed == latest
-    - Dev builds where installed (e.g., 999.0.0) > latest
-    """
+    """Verify  that the package is installed and can be fetched from PyPI."""
     installed_version = get_installed_version(package_name)
     latest_version = get_latest_version(package_name)
 
     assert installed_version is not None, f'Package {package_name} is not installed.'
     assert latest_version is not None, f'Could not fetch latest version for {package_name}.'
-
-    # Compare only MAJOR.MINOR.PATCH, ignoring local version identifiers
-    installed_base = Version(get_base_version(installed_version))
-    latest_base = Version(get_base_version(latest_version))
-
-    if installed_base < latest_base:
-        pytest.skip(
-            f'Installed {package_name} is older than latest PyPI release: '
-            f'{installed_base} < {latest_base}',
-        )
-
-    assert installed_base >= latest_base, (
-        f'Package {package_name} is outdated: Installed={installed_base}, Latest={latest_base}'
-    )