diff --git a/docs/mkdocs.yml b/docs/mkdocs.yml
index 6641a35b..cf1795b4 100644
--- a/docs/mkdocs.yml
+++ b/docs/mkdocs.yml
@@ -73,12 +73,15 @@ nav:
           - LBCO quick code: tutorials/ed-2.ipynb
           - LBCO basic: tutorials/ed-3.ipynb
           - PbSO4 advanced: tutorials/ed-4.ipynb
-      - Standard Diffraction:
+      - 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
diff --git a/docs/tutorials/index.md b/docs/tutorials/index.md
index 55f406a4..154fd5c6 100644
--- a/docs/tutorials/index.md
+++ b/docs/tutorials/index.md
@@ -42,7 +42,7 @@ The tutorials are organized into the following categories.
   refinement of the PbSO4 crystal structure based on the joint fit of both X-ray
   and neutron diffraction data.
 
-## Standard Diffraction
+## Powder Diffraction
 
 - [Co2SiO4 `pd-neut-cwl`](ed-5.ipynb) – Demonstrates a Rietveld refinement of
   the Co2SiO4 crystal structure using constant wavelength neutron powder
@@ -61,6 +61,15 @@ The tutorials are organized into the following categories.
   secondary phase using time-of-flight neutron powder diffraction data simulated
   with McStas.
 
+## 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
diff --git a/docs/user-guide/analysis-workflow/analysis.md b/docs/user-guide/analysis-workflow/analysis.md
index cdb948d2..d22d19f1 100644
--- a/docs/user-guide/analysis-workflow/analysis.md
+++ b/docs/user-guide/analysis-workflow/analysis.md
@@ -271,21 +271,21 @@ An example of setting aliases for parameters in a sample model:
 # Set aliases for the atomic displacement parameters
 project.analysis.aliases.add(
     label='biso_La',
-    param_uid=project.sample_models['lbco'].atom_sites['La'].b_iso.uid
+    param_uid=project.sample_models['lbco'].atom_sites['La'].b_iso.uid,
 )
 project.analysis.aliases.add(
     label='biso_Ba',
-    param_uid=project.sample_models['lbco'].atom_sites['Ba'].b_iso.uid
+    param_uid=project.sample_models['lbco'].atom_sites['Ba'].b_iso.uid,
 )
 
 # Set aliases for the occupancies of the atom sites
 project.analysis.aliases.add(
     label='occ_La',
-    param_uid=project.sample_models['lbco'].atom_sites['La'].occupancy.uid
+    param_uid=project.sample_models['lbco'].atom_sites['La'].occupancy.uid,
 )
 project.analysis.aliases.add(
     label='occ_Ba',
-    param_uid=project.sample_models['lbco'].atom_sites['Ba'].occupancy.uid
+    param_uid=project.sample_models['lbco'].atom_sites['Ba'].occupancy.uid,
 )
 ```
 
@@ -302,12 +302,12 @@ An example of setting constraints for the aliases defined above:
 ```python
 project.analysis.constraints.add(
     lhs_alias='biso_Ba',
-    rhs_expr='biso_La'
+    rhs_expr='biso_La',
 )
 
 project.analysis.constraints.add(
     lhs_alias='occ_Ba',
-    rhs_expr='1 - occ_La'
+    rhs_expr='1 - occ_La',
 )
 ```
 
diff --git a/docs/user-guide/analysis-workflow/experiment.md b/docs/user-guide/analysis-workflow/experiment.md
index 3bbc9fdc..da08cd43 100644
--- a/docs/user-guide/analysis-workflow/experiment.md
+++ b/docs/user-guide/analysis-workflow/experiment.md
@@ -105,20 +105,24 @@ 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
@@ -127,10 +131,12 @@ pattern, you can define an experiment without measured data using the
 
 ```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.add_without_data(
+    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
@@ -139,11 +145,14 @@ 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')
+
+experiment = Experiment(
+    name='hrpt',
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+    scattering_type='bragg',
+)
 project.experiments.add(experiment)
 ```
 
diff --git a/docs/user-guide/analysis-workflow/model.md b/docs/user-guide/analysis-workflow/model.md
index 69dbe765..9cdb4c9c 100644
--- a/docs/user-guide/analysis-workflow/model.md
+++ b/docs/user-guide/analysis-workflow/model.md
@@ -104,7 +104,7 @@ project.sample_models['nacl'].atom_sites.append(
     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(
     label='Cl',
@@ -113,7 +113,7 @@ project.sample_models['nacl'].atom_sites.append(
     fract_y=0,
     fract_z=0.5,
     occupancy=1,
-    b_iso_or_equiv=0.5
+    b_iso_or_equiv=0.5,
 )
 ```
 
diff --git a/docs/user-guide/analysis-workflow/project.md b/docs/user-guide/analysis-workflow/project.md
index 6987f10d..542e9dad 100644
--- a/docs/user-guide/analysis-workflow/project.md
+++ b/docs/user-guide/analysis-workflow/project.md
@@ -30,10 +30,10 @@ 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
diff --git a/docs/user-guide/first-steps.md b/docs/user-guide/first-steps.md
index 0500b189..d5a832d6 100644
--- a/docs/user-guide/first-steps.md
+++ b/docs/user-guide/first-steps.md
@@ -41,12 +41,10 @@ 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
-)
+from easydiffraction import Project
+from easydiffraction import SampleModel
+from easydiffraction import Experiment
+from easydiffraction import download_from_repository
 ```
 
 This enables you to use these classes and methods directly without the package
@@ -73,9 +71,11 @@ 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')
+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
diff --git a/pixi.lock b/pixi.lock
index c8913145..106286d9 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -5,142 +5,154 @@ environments:
     - url: https://conda.anaconda.org/conda-forge/
     indexes:
     - https://pypi.org/simple
+    options:
+      pypi-prerelease-mode: if-necessary-or-explicit
     packages:
       linux-64:
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_gnu.tar.bz2
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_8.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-20_gnu.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_9.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/c-ares-1.34.6-hb03c661_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.1.4-hbd8a1cb_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.2.25-hbd8a1cb_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/gsl-2.8-hbf7d49c_1.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-75.1-he02047a_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.45-default_hbd61a6d_105.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libabseil-20250512.1-cxx17_hba17884_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-78.2-h33c6efd_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.45.1-default_hbd61a6d_101.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libabseil-20260107.1-cxx17_h7b12aa8_0.conda
       - conda: https://conda.anaconda.org/conda-forge/linux-64/libblas-3.11.0-5_h4a7cf45_openblas.conda
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-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.3-hecca717_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.5.2-h9ec8514_0.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-15.2.0-he0feb66_16.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-15.2.0-h69a702a_16.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-15.2.0-h69a702a_16.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-15.2.0-h68bc16d_16.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgomp-15.2.0-he0feb66_16.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/liblzma-5.8.1-hb9d3cd8_2.conda
-      - conda: https://conda.anaconda.org/conda-forge/linux-64/libmpdec-4.0.0-hb9d3cd8_0.conda
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.4-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
+      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-15.2.0-h69a702a_18.conda
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+      - conda: https://conda.anaconda.org/conda-forge/linux-64/liblzma-5.8.2-hb03c661_0.conda
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-  - libabseil-static =20250512.1=cxx17*
+  - libabseil-static =20260107.1=cxx17*
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+  - libcxx >=19
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-  - abseil-cpp =20250512.1
+  - abseil-cpp =20260107.1
+  - libabseil-static =20260107.1=cxx17*
   license: Apache-2.0
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+  - expat 2.7.4.*
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+  - expat 2.7.4.*
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   - _openmp_mutex >=4.5
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-  - libgomp 15.2.0 he0feb66_16
+  - libgcc-ng ==15.2.0=*_18
+  - libgomp 15.2.0 he0feb66_18
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+  - libgfortran-ng ==15.2.0=*_18
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-- 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..c0a8608e 100644
--- a/pixi.toml
+++ b/pixi.toml
@@ -33,6 +33,18 @@ 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
 ##########
@@ -46,11 +58,12 @@ gsl = '*' # GNU Scientific Library; required for pdffit2.
 #libcblas = '*' # CBLAS library for linear algebra; required for 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
+uv = '*'          # Package manager
+jupyterlab = '*'  # Jupyter notebooks
+pixi-kernel = '*' # Pixi Jupyter kernel
+#easydiffraction = { version = '*', extras = ['all'] } # Main package
+easydiffraction = { path = ".", editable = true, extras = ['all'] }
 
 # Specific features
 
@@ -190,7 +203,7 @@ docs-setup = { depends-on = [
 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]'"
+#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'
@@ -198,10 +211,10 @@ pre-commit-update = 'pre-commit autoupdate'
 clean-pycache = "find . -type d -name '__pycache__' -prune -exec rm -rf '{}' +"
 
 dev = { depends-on = [
-  'dev-install',
+  #'dev-install',
   'npm-config',
   'prettier-install',
-  'pre-commit-setup',
+  #'pre-commit-setup',
 ] }
 
 wheel = { depends-on = ['npm-config', 'prettier-install'] }
diff --git a/pyproject.toml b/pyproject.toml
index fb0118e3..d59c6205 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -22,7 +22,7 @@ classifiers = [
 ]
 requires-python = '>=3.11,<3.14'
 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
@@ -180,7 +180,7 @@ source = ['src/easydiffraction'] # 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
+fail_under = 60     # Temporarily reduce to allow gradual improvement
 
 ########################
 # Configuration for ruff
@@ -191,13 +191,7 @@ fail_under = 65     # Temporarily reduce to allow gradual improvement
 
 [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',
-]
+exclude = ['tmp', 'tests/unit']
 indent-width = 4
 line-length = 99
 # Enable new rules that are not yet stable, like DOC
@@ -236,7 +230,7 @@ select = [
   #'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) 
+  #'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
@@ -262,7 +256,7 @@ ignore = [
 # Temporarily increase McCabe complexity limit to 19 to allow
 # refactoring in smaller steps.
 [tool.ruff.lint.mccabe]
-max-complexity = 19 # default is 10
+max-complexity = 37 # 19 # default is 10
 
 [tool.ruff.lint.flake8-tidy-imports]
 ban-relative-imports = 'all'
diff --git a/src/easydiffraction/analysis/calculators/base.py b/src/easydiffraction/analysis/calculators/base.py
index 80c86a36..f4d99c4d 100644
--- a/src/easydiffraction/analysis/calculators/base.py
+++ b/src/easydiffraction/analysis/calculators/base.py
@@ -29,6 +29,7 @@ def calculate_structure_factors(
         self,
         sample_model: SampleModelBase,
         experiment: ExperimentBase,
+        called_by_minimizer: bool,
     ) -> None:
         """Calculate structure factors for a single sample model and
         experiment.
diff --git a/src/easydiffraction/analysis/calculators/cryspy.py b/src/easydiffraction/analysis/calculators/cryspy.py
index 18e7858d..4e5e9b2a 100644
--- a/src/easydiffraction/analysis/calculators/cryspy.py
+++ b/src/easydiffraction/analysis/calculators/cryspy.py
@@ -14,6 +14,7 @@
 from easydiffraction.analysis.calculators.base import CalculatorBase
 from easydiffraction.experiments.experiment.base import ExperimentBase
 from easydiffraction.experiments.experiment.enums import BeamModeEnum
+from easydiffraction.experiments.experiment.enums import SampleFormEnum
 from easydiffraction.sample_models.sample_model.base import SampleModelBase
 
 try:
@@ -51,7 +52,8 @@ def calculate_structure_factors(
         self,
         sample_model: SampleModelBase,
         experiment: ExperimentBase,
-    ) -> None:
+        called_by_minimizer: bool = False,
+    ):
         """Raises a NotImplementedError as HKL calculation is not
         implemented.
 
@@ -60,8 +62,49 @@ def calculate_structure_factors(
                 factors for.
             experiment: The experiment associated with the sample
                 models.
+            called_by_minimizer: Whether the calculation is called by a
+                minimizer.
         """
-        raise NotImplementedError('HKL calculation is not implemented for CryspyCalculator.')
+        combined_name = f'{sample_model.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)
+            else:
+                cryspy_obj = self._recreate_cryspy_obj(sample_model, experiment)
+                cryspy_dict = cryspy_obj.get_dictionary()
+        else:
+            cryspy_obj = self._recreate_cryspy_obj(sample_model, 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,
@@ -82,7 +125,7 @@ def calculate_pattern(
             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.
+                minimizer.
 
         Returns:
             The calculated diffraction pattern as a NumPy array or a
@@ -160,7 +203,9 @@ def _recreate_cryspy_dict(
         cryspy_model_id = f'crystal_{sample_model.name}'
         cryspy_model_dict = cryspy_dict[cryspy_model_id]
 
+        ################################
         # Update sample model parameters
+        ################################
 
         # Cell
         cryspy_cell = cryspy_model_dict['unit_cell_parameters']
@@ -188,51 +233,66 @@ def _recreate_cryspy_dict(
         for idx, atom_site in enumerate(sample_model.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}'
-            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}'
+        ##############################
+
+        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['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
 
@@ -260,7 +320,7 @@ def _recreate_cryspy_obj(
         # Add single experiment to cryspy_obj
         cryspy_experiment_cif = self._convert_experiment_to_cryspy_cif(
             experiment,
-            linked_phase=sample_model,
+            linked_sample_model=sample_model,
         )
 
         cryspy_experiment_obj = str_to_globaln(cryspy_experiment_cif)
@@ -285,24 +345,28 @@ def _convert_sample_model_to_cryspy_cif(
     def _convert_experiment_to_cryspy_cif(
         self,
         experiment: ExperimentBase,
-        linked_phase: Any,
+        linked_sample_model: Any,
     ) -> str:
         """Converts an experiment to a Cryspy CIF string.
 
         Args:
             experiment: The experiment to convert.
-            linked_phase: The linked phase associated with the
+            linked_sample_model: The sample model linked to the
                 experiment.
 
         Returns:
             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 +374,39 @@ 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 +414,7 @@ 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 +442,140 @@ 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_sample_model.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_sample_model.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/fit_helpers/metrics.py b/src/easydiffraction/analysis/fit_helpers/metrics.py
index b6ef9928..23d5d42b 100644
--- a/src/easydiffraction/analysis/fit_helpers/metrics.py
+++ b/src/easydiffraction/analysis/fit_helpers/metrics.py
@@ -143,9 +143,9 @@ def get_reliability_inputs(
             sample_model._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/fitting.py b/src/easydiffraction/analysis/fitting.py
index ee6e3c84..0541318e 100644
--- a/src/easydiffraction/analysis/fitting.py
+++ b/src/easydiffraction/analysis/fitting.py
@@ -182,9 +182,9 @@ 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/display/plotters/ascii.py b/src/easydiffraction/display/plotters/ascii.py
index f9ef8904..7b5ff6a8 100644
--- a/src/easydiffraction/display/plotters/ascii.py
+++ b/src/easydiffraction/display/plotters/ascii.py
@@ -8,6 +8,7 @@
 """
 
 import asciichartpy
+import numpy as np
 
 from easydiffraction.display.plotters.base import DEFAULT_HEIGHT
 from easydiffraction.display.plotters.base import SERIES_CONFIG
@@ -43,7 +44,7 @@ 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,
@@ -52,7 +53,11 @@ def plot(
         title,
         height=None,
     ):
-        """Render a compact ASCII chart in the terminal.
+        """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.
 
         Args:
             x: 1D array-like of x values (only used for range
@@ -84,3 +89,74 @@ def plot(
         padded = '\n'.join(' ' + line for line in chart.splitlines())
 
         print(padded)
+
+    def plot_single_crystal(
+        self,
+        x_calc,
+        y_meas,
+        y_meas_su,
+        axes_labels,
+        title,
+        height=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.
+
+        Args:
+            x_calc: 1D array-like of calculated values (x-axis).
+            y_meas: 1D array-like of measured values (y-axis).
+            y_meas_su: 1D array-like of measurement uncertainties
+                (ignored in ASCII mode).
+            axes_labels: Pair of strings for the x and y titles.
+            title: Figure title.
+            height: 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]}')
diff --git a/src/easydiffraction/display/plotters/base.py b/src/easydiffraction/display/plotters/base.py
index 43c22767..85892950 100644
--- a/src/easydiffraction/display/plotters/base.py
+++ b/src/easydiffraction/display/plotters/base.py
@@ -4,36 +4,133 @@
 
 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 SampleFormEnum
 from easydiffraction.experiments.experiment.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',
+    ],
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.D_SPACING,
+    ): [
+        'd (Å)',
+        'Intensity (arb. units)',
     ],
-    (ScatteringTypeEnum.TOTAL, BeamModeEnum.TIME_OF_FLIGHT): [
-        'r (Å)',
-        'G(r) (Å)',
+    (
+        SampleFormEnum.SINGLE_CRYSTAL,
+        ScatteringTypeEnum.BRAGG,
+        XAxisType.SIN_THETA_OVER_LAMBDA,
+    ): [
+        'sin(θ)/λ (Å⁻¹)',
+        'Intensity (arb. units)',
     ],
 }
 
@@ -58,10 +155,16 @@ class PlotterBase(ABC):
 
     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,
@@ -70,7 +173,10 @@ def plot(
         title,
         height,
     ):
-        """Render a plot.
+        """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).
 
         Args:
             x: 1D array of x-axis values.
@@ -81,3 +187,28 @@ def plot(
             height: Backend-specific height (text rows or pixels).
         """
         pass
+
+    @abstractmethod
+    def plot_single_crystal(
+        self,
+        x_calc,
+        y_meas,
+        y_meas_su,
+        axes_labels,
+        title,
+        height,
+    ):
+        """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.
+
+        Args:
+            x_calc: 1D array of calculated values (x-axis).
+            y_meas: 1D array of measured values (y-axis).
+            y_meas_su: 1D array of measurement uncertainties.
+            axes_labels: Pair of strings for the x and y titles.
+            title: Figure title.
+            height: 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..bf2b4907 100644
--- a/src/easydiffraction/display/plotters/plotly.py
+++ b/src/easydiffraction/display/plotters/plotly.py
@@ -36,8 +36,13 @@ 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,
+        y,
+        label,
+    ):
+        """Create a Plotly trace for powder diffraction data.
 
         Args:
             x: 1D array-like of x-axis values.
@@ -63,34 +68,144 @@ def _get_trace(self, x, y, label):
 
         return trace
 
-    def plot(
+    def _get_single_crystal_trace(
+        self,
+        x_calc,
+        y_meas,
+        y_meas_su,
+    ):
+        """Create a Plotly trace for single crystal diffraction data.
+
+        Args:
+            x_calc: 1D array-like of calculated values (x-axis).
+            y_meas: 1D array-like of measured values (y-axis).
+            y_meas_su: 1D array-like of measurement uncertainties.
+
+        Returns:
+            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):
+        """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:
+            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):
+        """Return the Plotly figure configuration.
+
+        Returns:
+            A dict with display and mode bar settings.
+        """
+        return dict(
+            displaylogo=False,
+            modeBarButtonsToRemove=[
+                'select2d',
+                'lasso2d',
+                'zoomIn2d',
+                'zoomOut2d',
+                'autoScale2d',
+            ],
+        )
+
+    def _get_figure(
+        self,
+        data,
+        layout,
+    ):
+        """Create and configure a Plotly figure.
+
+        Args:
+            data: List of traces to include in the figure.
+            layout: Layout configuration dict.
+
+        Returns:
+            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,
+    ):
+        """Display a Plotly figure.
+
+        Renders the figure using the appropriate method for the current
+        environment (browser for PyCharm, inline HTML for Jupyter).
+
+        Args:
+            fig: 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))
+
+    def _get_layout(
         self,
-        x,
-        y_series,
-        labels,
-        axes_labels,
         title,
-        height=None,
+        axes_labels,
+        **kwargs,
     ):
-        """Render an interactive Plotly figure.
+        """Create a Plotly layout configuration.
 
         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.
-        """
-        # 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)
+            axes_labels: Pair of strings for the x and y titles.
+            **kwargs: Additional layout parameters (e.g., shapes).
 
-        layout = go.Layout(
+        Returns:
+            A configured :class:`plotly.graph_objects.Layout`.
+        """
+        return go.Layout(
             margin=dict(
                 autoexpand=True,
                 r=30,
@@ -118,38 +233,87 @@ def plot(
                 mirror=True,
                 zeroline=False,
             ),
+            **kwargs,
         )
 
-        config = dict(
-            displaylogo=False,
-            modeBarButtonsToRemove=[
-                'select2d',
-                'lasso2d',
-                'zoomIn2d',
-                'zoomOut2d',
-                'autoScale2d',
-            ],
-        )
+    def plot_powder(
+        self,
+        x,
+        y_series,
+        labels,
+        axes_labels,
+        title,
+        height=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).
+
+        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.
+        """
+        # 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)
 
-        fig = go.Figure(
-            data=data,
-            layout=layout,
+        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,
+        y_meas,
+        y_meas_su,
+        axes_labels,
+        title,
+        height=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.
+
+        Args:
+            x_calc: 1D array-like of calculated values (x-axis).
+            y_meas: 1D array-like of measured values (y-axis).
+            y_meas_su: 1D array-like of measurement uncertainties.
+            axes_labels: Pair of strings for the x and y titles.
+            title: Figure title.
+            height: 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)
diff --git a/src/easydiffraction/display/plotting.py b/src/easydiffraction/display/plotting.py
index c0c98deb..90d54261 100644
--- a/src/easydiffraction/display/plotting.py
+++ b/src/easydiffraction/display/plotting.py
@@ -18,6 +18,8 @@
 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
@@ -50,6 +52,10 @@ def description(self) -> str:
 class Plotter(RendererBase):
     """User-facing plotting facade backed by concrete plotters."""
 
+    # ------------------------------------------------------------------
+    #  Private special methods
+    # ------------------------------------------------------------------
+
     def __init__(self):
         super().__init__()
         # X-axis limits
@@ -58,6 +64,10 @@ def __init__(self):
         # Chart height
         self.height = DEFAULT_HEIGHT
 
+    # ------------------------------------------------------------------
+    #  Private class methods
+    # ------------------------------------------------------------------
+
     @classmethod
     def _factory(cls) -> type[RendererFactoryBase]:  # type: ignore[override]
         return PlotterFactory
@@ -66,20 +76,174 @@ 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, x_array, x_min, x_max):
+        """For the ASCII engine, narrow the range around the tallest
+        peak.
+
+        Args:
+            pattern: Data pattern object (needs ``intensity_meas``).
+            x_array: Full x-axis array.
+            x_min: Current minimum (may be ``None``).
+            x_max: Current maximum (may be ``None``).
+
+        Returns:
+            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,
+        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]``.
+        """
+        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, scattering_type, x_axis):
+        """Look up axis labels for the given experiment / x-axis
+        combination.
+        """
+        return DEFAULT_AXES_LABELS[(sample_form, scattering_type, x_axis)]
+
+    def _prepare_powder_data(
+        self,
+        pattern,
+        expt_name,
+        expt_type,
+        x_min,
+        x_max,
+        x,
+        need_meas=False,
+        need_calc=False,
+        show_residual=False,
+    ):
+        """Validate, resolve axes, auto-range, and filter arrays.
+
+        Args:
+            pattern: Data pattern object with intensity arrays.
+            expt_name: Experiment name for error messages.
+            expt_type: Experiment type with sample_form, scattering,
+                and beam enums.
+            x_min: Optional minimum x-axis limit.
+            x_max: Optional maximum x-axis limit.
+            x: Explicit x-axis type or ``None``.
+            need_meas: Whether ``intensity_meas`` is required.
+            need_calc: Whether ``intensity_calc`` is required.
+            show_residual: If ``True``, compute meas − calc residual.
+
+        Returns:
+            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, x):
+        """Determine the x-axis type from experiment metadata.
+
+        Args:
+            expt_type: Experiment type with sample_form,
+                scattering_type, and beam_mode enums.
+            x: Explicit x-axis type or ``None`` to auto-detect.
+
+        Returns:
+            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):
@@ -132,6 +296,25 @@ def height(self, value):
         else:
             self._height = DEFAULT_HEIGHT
 
+    # ------------------------------------------------------------------
+    #  Public methods
+    # ------------------------------------------------------------------
+
+    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)
+
     def plot_meas(
         self,
         pattern,
@@ -139,77 +322,38 @@ def plot_meas(
         expt_type,
         x_min=None,
         x_max=None,
-        d_spacing=False,
+        x=None,
     ):
         """Plot measured pattern using the current engine.
 
         Args:
-            pattern: Object with ``x`` and ``meas`` arrays (and
-                ``d`` when ``d_spacing`` is true).
+            pattern: Object with x-axis arrays (``two_theta``,
+                ``time_of_flight``, ``d_spacing``) and ``meas`` array.
             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.
+            x: X-axis type (``'two_theta'``, ``'time_of_flight'``, or
+                ``'d_spacing'``). If ``None``, auto-detected from
+                beam mode.
         """
-        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,
+        ctx = self._prepare_powder_data(
+            pattern,
+            expt_name,
+            expt_type,
+            x_min,
+            x_max,
+            x,
+            need_meas=True,
         )
-        y_meas = self._filtered_y_array(
-            y_array=pattern.meas,
-            x_array=x_array,
-            x_min=x_min,
-            x_max=x_max,
-        )
-
-        y_series = [y_meas]
-        y_labels = ['meas']
+        if ctx is None:
+            return
 
-        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,
         )
@@ -221,76 +365,38 @@ def plot_calc(
         expt_type,
         x_min=None,
         x_max=None,
-        d_spacing=False,
+        x=None,
     ):
         """Plot calculated pattern using the current engine.
 
         Args:
-            pattern: Object with ``x`` and ``calc`` arrays (and
-                ``d`` when ``d_spacing`` is true).
+            pattern: Object with x-axis arrays (``two_theta``,
+                ``time_of_flight``, ``d_spacing``) and ``calc`` array.
             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.
+            x: X-axis type (``'two_theta'``, ``'time_of_flight'``, or
+                ``'d_spacing'``). If ``None``, auto-detected from
+                beam mode.
         """
-        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,
+        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,
         )
@@ -303,125 +409,91 @@ def plot_meas_vs_calc(
         x_min=None,
         x_max=None,
         show_residual=False,
-        d_spacing=False,
+        x=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
+
         Args:
-            pattern: Object with ``x``, ``meas`` and ``calc`` arrays
-                (and ``d`` when ``d_spacing`` is true).
+            pattern: Data pattern object with meas/calc arrays.
             expt_name: Experiment name for the title.
-            expt_type: Experiment type with scattering/beam enums.
+            expt_type: Experiment type with sample_form,
+                scattering, and 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.
+            show_residual: If ``True``, add residual series
+                (powder only).
+            x: X-axis type. If ``None``, auto-detected from sample form
+                and beam mode.
         """
-        if pattern.x is None:
-            log.error(f'No data available for experiment {expt_name}')
-            return
-        if pattern.meas is None:
+        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(
-            x=x,
-            y_series=y_series,
-            labels=y_labels,
-            axes_labels=axes_labels,
-            title=f"Measured vs Calculated data for experiment 🔬 '{expt_name}'",
+        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,
         )
 
-    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]``.
-        """
-        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
-
 
 class PlotterFactory(RendererFactoryBase):
     """Factory for plotter implementations."""
diff --git a/src/easydiffraction/experiments/categories/background/chebyshev.py b/src/easydiffraction/experiments/categories/background/chebyshev.py
index 3532e35e..2a21b0d0 100644
--- a/src/easydiffraction/experiments/categories/background/chebyshev.py
+++ b/src/easydiffraction/experiments/categories/background/chebyshev.py
@@ -138,14 +138,14 @@ 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/line_segment.py b/src/easydiffraction/experiments/categories/background/line_segment.py
index bf202ce3..2df4ca2b 100644
--- a/src/easydiffraction/experiments/categories/background/line_segment.py
+++ b/src/easydiffraction/experiments/categories/background/line_segment.py
@@ -139,7 +139,7 @@ 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 +153,7 @@ 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/experiments/categories/data/bragg_pd.py b/src/easydiffraction/experiments/categories/data/bragg_pd.py
index da92da30..70b0991c 100644
--- a/src/easydiffraction/experiments/categories/data/bragg_pd.py
+++ b/src/easydiffraction/experiments/categories/data/bragg_pd.py
@@ -214,8 +214,8 @@ def time_of_flight(self) -> NumericDescriptor:
 
 
 class PdCwlDataPoint(
-    PdDataPointBaseMixin,
-    PdCwlDataPointMixin,
+    PdDataPointBaseMixin,  # TODO: rename to BasePdDataPointMixin???
+    PdCwlDataPointMixin,  # TODO: rename to CwlPdDataPointMixin???
     CategoryItem,  # Must be last to ensure mixins initialized first
 ):
     """Powder diffraction data point for constant-wavelength
@@ -250,6 +250,10 @@ class PdDataBase(CategoryCollection):
     # default
     _update_priority = 100
 
+    #################
+    # Private methods
+    #################
+
     # Should be set only once
 
     def _set_point_id(self, values) -> None:
@@ -257,12 +261,12 @@ def _set_point_id(self, values) -> None:
         for p, v in zip(self._items, values, strict=True):
             p.point_id._value = v
 
-    def _set_meas(self, values) -> None:
+    def _set_intensity_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:
+    def _set_intensity_meas_su(self, values) -> None:
         """Helper method to set standard uncertainty of measured
         intensity.
         """
@@ -276,12 +280,12 @@ def _set_d_spacing(self, values) -> None:
         for p, v in zip(self._calc_items, values, strict=True):
             p.d_spacing._value = v
 
-    def _set_calc(self, values) -> None:
+    def _set_intensity_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:
+    def _set_intensity_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
@@ -307,20 +311,66 @@ 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]
 
+    # Misc
+
+    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
+
+        # 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(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_intensity_calc(calc + self.intensity_bkg)
+
+    ###################
+    # Public properties
+    ###################
+
     @property
     def calc_status(self) -> np.ndarray:
-        return np.fromiter((p.calc_status.value for p in self._items), dtype=object)
+        return np.fromiter(
+            (p.calc_status.value for p in self._items),
+            dtype=object,  # TODO: needed? DataTypes.NUMERIC?
+        )
 
     @property
-    def d(self) -> np.ndarray:
-        return np.fromiter((p.d_spacing.value for p in self._calc_items), dtype=float)
+    def d_spacing(self) -> np.ndarray:
+        return np.fromiter(
+            (p.d_spacing.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
 
     @property
-    def meas(self) -> np.ndarray:
-        return np.fromiter((p.intensity_meas.value for p in self._calc_items), dtype=float)
+    def intensity_meas(self) -> np.ndarray:
+        return np.fromiter(
+            (p.intensity_meas.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
 
     @property
-    def meas_su(self) -> np.ndarray:
+    def intensity_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
@@ -333,44 +383,27 @@ def meas_su(self) -> np.ndarray:
         #  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)
+        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 calc(self) -> np.ndarray:
-        return np.fromiter((p.intensity_calc.value for p in self._calc_items), dtype=float)
+    def intensity_calc(self) -> np.ndarray:
+        return np.fromiter(
+            (p.intensity_calc.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
 
     @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)
+    def intensity_bkg(self) -> np.ndarray:
+        return np.fromiter(
+            (p.intensity_bkg.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
 
 
 class PdCwlData(PdDataBase):
@@ -381,27 +414,27 @@ class PdCwlData(PdDataBase):
     def __init__(self):
         super().__init__(item_type=PdCwlDataPoint)
 
+    #################
+    # Private methods
+    #################
+
     # Should be set only once
 
-    def _set_x(self, values) -> None:
+    def _create_items_set_xcoord_and_id(self, values) -> None:
         """Helper method to 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
-        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)
+        # Set point IDs
+        self._set_point_id([str(i + 1) for i in range(values.size)])
 
-    @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)
+    # Misc
 
     def _update(self, called_by_minimizer=False):
         super()._update(called_by_minimizer)
@@ -413,6 +446,33 @@ def _update(self, called_by_minimizer=False):
         )
         self._set_d_spacing(d_spacing)
 
+    ###################
+    # Public properties
+    ###################
+
+    @property
+    def two_theta(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,  # 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?
+        )
+
 
 class PdTofData(PdDataBase):
     # TODO: ???
@@ -422,25 +482,27 @@ class PdTofData(PdDataBase):
     def __init__(self):
         super().__init__(item_type=PdTofDataPoint)
 
-    def _set_x(self, values) -> None:
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_xcoord_and_id(self, values) -> None:
         """Helper method to 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
-        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)
+        # Set point IDs
+        self._set_point_id([str(i + 1) for i in range(values.size)])
 
-    @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)
+    # Misc
 
     def _update(self, called_by_minimizer=False):
         super()._update(called_by_minimizer)
@@ -453,3 +515,30 @@ def _update(self, called_by_minimizer=False):
             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 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,  # 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/experiments/categories/data/bragg_sc.py b/src/easydiffraction/experiments/categories/data/bragg_sc.py
index f738b2df..c48a15e9 100644
--- a/src/easydiffraction/experiments/categories/data/bragg_sc.py
+++ b/src/easydiffraction/experiments/categories/data/bragg_sc.py
@@ -3,22 +3,79 @@
 
 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 RangeValidator
+from easydiffraction.core.validation import RegexValidator
 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
+    category.
+    """
 
-class Refln:
-    def __init__(self, **kwargs):
-        super().__init__(**kwargs)
+    def __init__(self) -> None:
+        super().__init__()
 
-        self._index_h = StringDescriptor(
+        self._id = StringDescriptor(
+            name='id',
+            description='Identifier of the reflection.',
+            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=[
+                    '_refln.id',
+                ]
+            ),
+        )
+        self._d_spacing = NumericDescriptor(
+            name='d_spacing',
+            description='The distance between lattice planes in the crystal for this reflection.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.NUMERIC,
+                default=0.0,
+                content_validator=RangeValidator(ge=0),
+            ),
+            units='Å',
+            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.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.NUMERIC,
+                default=0.0,
+                content_validator=RangeValidator(ge=0),
+            ),
+            units='Å⁻¹',
+            cif_handler=CifHandler(
+                names=[
+                    '_refln.sin_theta_over_lambda',
+                ]
+            ),
+        )
+        self._index_h = NumericDescriptor(
             name='index_h',
-            description='...',
+            description='Miller index h of a measured reflection.',
             value_spec=AttributeSpec(
                 type_=DataTypes.NUMERIC,
                 default=0.0,
@@ -30,9 +87,9 @@ def __init__(self, **kwargs):
                 ]
             ),
         )
-        self._index_k = StringDescriptor(
+        self._index_k = NumericDescriptor(
             name='index_k',
-            description='...',
+            description='Miller index k of a measured reflection.',
             value_spec=AttributeSpec(
                 type_=DataTypes.NUMERIC,
                 default=0.0,
@@ -44,9 +101,9 @@ def __init__(self, **kwargs):
                 ]
             ),
         )
-        self._index_l = StringDescriptor(
+        self._index_l = NumericDescriptor(
             name='index_l',
-            description='...',
+            description='Miller index l of a measured reflection.',
             value_spec=AttributeSpec(
                 type_=DataTypes.NUMERIC,
                 default=0.0,
@@ -60,7 +117,7 @@ def __init__(self, **kwargs):
         )
         self._intensity_meas = NumericDescriptor(
             name='intensity_meas',
-            description='...',
+            description=' The intensity of the reflection derived from the measurements.',
             value_spec=AttributeSpec(
                 type_=DataTypes.NUMERIC,
                 default=0.0,
@@ -74,7 +131,7 @@ def __init__(self, **kwargs):
         )
         self._intensity_meas_su = NumericDescriptor(
             name='intensity_meas_su',
-            description='...',
+            description='Standard uncertainty of the measured intensity.',
             value_spec=AttributeSpec(
                 type_=DataTypes.NUMERIC,
                 default=0.0,
@@ -86,11 +143,251 @@ def __init__(self, **kwargs):
                 ]
             ),
         )
+        self._intensity_calc = NumericDescriptor(
+            name='intensity_calc',
+            description='The intensity of the reflection calculated from the atom site data.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.NUMERIC,
+                default=0.0,
+                content_validator=RangeValidator(ge=0),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_refln.intensity_calc',
+                ]
+            ),
+        )
+        self._wavelength = NumericDescriptor(
+            name='wavelength',
+            description='The mean wavelength of radiation used to measure this reflection.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.NUMERIC,
+                default=0.0,
+                content_validator=RangeValidator(ge=0),
+            ),
+            units='Å',
+            cif_handler=CifHandler(
+                names=[
+                    '_refln.wavelength',
+                ]
+            ),
+        )
+
+        self._identity.category_code = 'refln'
+        self._identity.category_entry_name = lambda: str(self.id.value)
+
+    @property
+    def id(self) -> StringDescriptor:
+        return self._id
+
+    @property
+    def d_spacing(self) -> NumericDescriptor:
+        return self._d_spacing
 
-    class ReflnData(CategoryCollection):
-        """..."""
+    @property
+    def sin_theta_over_lambda(self) -> NumericDescriptor:
+        return self._sin_theta_over_lambda
 
-        _update_priority = 100
+    @property
+    def index_h(self) -> NumericDescriptor:
+        return self._index_h
 
-        def __init__(self):
-            super().__init__(item_type=Refln)
+    @property
+    def index_k(self) -> NumericDescriptor:
+        return self._index_k
+
+    @property
+    def index_l(self) -> NumericDescriptor:
+        return self._index_l
+
+    @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 wavelength(self) -> NumericDescriptor:
+        return self._wavelength
+
+
+class ReflnData(CategoryCollection):
+    """Collection of reflections for single crystal diffraction data."""
+
+    _update_priority = 100
+
+    def __init__(self):
+        super().__init__(item_type=Refln)
+
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_hkl_and_id(self, indices_h, indices_k, indices_l) -> None:
+        """Helper method to 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) -> None:
+        """Helper method to set reflection IDs."""
+        for p, v in zip(self._items, values, strict=True):
+            p.id._value = v
+
+    def _set_intensity_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_intensity_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
+
+    def _set_wavelength(self, values) -> None:
+        """Helper method to 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) -> None:
+        """Helper method to 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) -> None:
+        """Helper method to 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) -> None:
+        """Helper method to 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=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
+
+        linked_crystal = experiment.linked_crystal
+        linked_crystal_id = experiment.linked_crystal.id.value
+
+        if linked_crystal_id not in sample_models.names:
+            log.error(
+                f"Linked crystal ID '{linked_crystal_id}' not found in "
+                f'sample model IDs {sample_models.names}.'
+            )
+            return
+
+        sample_model_id = linked_crystal_id
+        sample_model_scale = linked_crystal.scale.value
+        sample_model = sample_models[sample_model_id]
+
+        stol, raw_calc = calculator.calculate_structure_factors(
+            sample_model,
+            experiment,
+            called_by_minimizer=called_by_minimizer,
+        )
+
+        d_spacing = sin_theta_over_lambda_to_d_spacing(stol)
+        calc = sample_model_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:
+        return np.fromiter(
+            (p.d_spacing.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def sin_theta_over_lambda(self) -> np.ndarray:
+        return np.fromiter(
+            (p.sin_theta_over_lambda.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def index_h(self) -> np.ndarray:
+        return np.fromiter(
+            (p.index_h.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def index_k(self) -> np.ndarray:
+        return np.fromiter(
+            (p.index_k.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def index_l(self) -> np.ndarray:
+        return np.fromiter(
+            (p.index_l.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_meas(self) -> np.ndarray:
+        return np.fromiter(
+            (p.intensity_meas.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_meas_su(self) -> np.ndarray:
+        return np.fromiter(
+            (p.intensity_meas_su.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_calc(self) -> np.ndarray:
+        return np.fromiter(
+            (p.intensity_calc.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def wavelength(self) -> np.ndarray:
+        return np.fromiter(
+            (p.wavelength.value for p in self._items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
diff --git a/src/easydiffraction/experiments/categories/data/factory.py b/src/easydiffraction/experiments/categories/data/factory.py
index 2d60560c..a7d4df0a 100644
--- a/src/easydiffraction/experiments/categories/data/factory.py
+++ b/src/easydiffraction/experiments/categories/data/factory.py
@@ -8,7 +8,8 @@
 
 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.categories.data.bragg_sc import ReflnData
+from easydiffraction.experiments.categories.data.total_pd import TotalData
 from easydiffraction.experiments.experiment.enums import BeamModeEnum
 from easydiffraction.experiments.experiment.enums import SampleFormEnum
 from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
@@ -18,7 +19,7 @@
 
 
 class DataFactory:
-    """Factory for creating powder diffraction data collections."""
+    """Factory for creating diffraction data collections."""
 
     _supported = {
         SampleFormEnum.POWDER: {
@@ -31,6 +32,12 @@ class DataFactory:
                 BeamModeEnum.TIME_OF_FLIGHT: TotalData,
             },
         },
+        SampleFormEnum.SINGLE_CRYSTAL: {
+            ScatteringTypeEnum.BRAGG: {
+                BeamModeEnum.CONSTANT_WAVELENGTH: ReflnData,
+                BeamModeEnum.TIME_OF_FLIGHT: ReflnData,
+            },
+        },
     }
 
     @classmethod
diff --git a/src/easydiffraction/experiments/categories/data/total.py b/src/easydiffraction/experiments/categories/data/total_pd.py
similarity index 79%
rename from src/easydiffraction/experiments/categories/data/total.py
rename to src/easydiffraction/experiments/categories/data/total_pd.py
index 5dc69b9d..0e43c3a4 100644
--- a/src/easydiffraction/experiments/categories/data/total.py
+++ b/src/easydiffraction/experiments/categories/data/total_pd.py
@@ -145,6 +145,10 @@ class TotalDataBase(CategoryCollection):
 
     _update_priority = 100
 
+    #################
+    # Private methods
+    #################
+
     # Should be set only once
 
     def _set_point_id(self, values) -> None:
@@ -152,12 +156,12 @@ def _set_point_id(self, values) -> None:
         for p, v in zip(self._items, values, strict=True):
             p.point_id._value = v
 
-    def _set_meas(self, values) -> None:
+    def _set_g_r_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:
+    def _set_g_r_meas_su(self, values) -> None:
         """Helper method to set standard uncertainty of measured
         G(r).
         """
@@ -166,7 +170,7 @@ def _set_meas_su(self, values) -> None:
 
     # Can be set multiple times
 
-    def _set_calc(self, values) -> None:
+    def _set_g_r_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
@@ -192,36 +196,23 @@ 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)
+    # Misc
 
     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
+
+        # 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(sample_models):
             sample_model_id = linked_phase._identity.category_entry_name
             sample_model_scale = linked_phase.scale.value
@@ -236,7 +227,44 @@ def _update(self, called_by_minimizer=False):
             sample_model_scaled_calc = sample_model_scale * sample_model_calc
             calc += sample_model_scaled_calc
 
-        self._set_calc(calc)
+        self._set_g_r_calc(calc)
+
+    ###################
+    # Public properties
+    ###################
+
+    @property
+    def calc_status(self) -> np.ndarray:
+        return np.fromiter(
+            (p.calc_status.value for p in self._items),
+            dtype=object,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_meas(self) -> np.ndarray:
+        return np.fromiter(
+            (p.g_r_meas.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_meas_su(self) -> np.ndarray:
+        return np.fromiter(
+            (p.g_r_meas_su.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_calc(self) -> np.ndarray:
+        return np.fromiter(
+            (p.g_r_calc.value for p in self._calc_items),
+            dtype=float,  # TODO: needed? DataTypes.NUMERIC?
+        )
+
+    @property
+    def intensity_bkg(self) -> np.ndarray:
+        """Background is always zero for PDF data."""
+        return np.zeros_like(self.intensity_calc)
 
 
 class TotalData(TotalDataBase):
@@ -249,19 +277,42 @@ class TotalData(TotalDataBase):
     def __init__(self):
         super().__init__(item_type=TotalDataPoint)
 
-    def _set_x(self, values) -> None:
+    #################
+    # Private methods
+    #################
+
+    # Should be set only once
+
+    def _create_items_set_xcoord_and_id(self, values) -> None:
         """Helper method to 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)])
 
-    @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)
+    ###################
+    # 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)
+        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/experiments/categories/excluded_regions.py b/src/easydiffraction/experiments/categories/excluded_regions.py
index 0ebce0a4..c882fad0 100644
--- a/src/easydiffraction/experiments/categories/excluded_regions.py
+++ b/src/easydiffraction/experiments/categories/excluded_regions.py
@@ -126,7 +126,7 @@ def _update(self, called_by_minimizer=False):
         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/experiments/categories/extinction.py b/src/easydiffraction/experiments/categories/extinction.py
new file mode 100644
index 00000000..329f3ca5
--- /dev/null
+++ b/src/easydiffraction/experiments/categories/extinction.py
@@ -0,0 +1,65 @@
+# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-License-Identifier: BSD-3-Clause
+
+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.io.cif.handler import CifHandler
+
+
+class Extinction(CategoryItem):
+    """Extinction correction category for single crystals."""
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._mosaicity = Parameter(
+            name='mosaicity',
+            description='Mosaicity value for extinction correction.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.NUMERIC,
+                default=1.0,
+                content_validator=RangeValidator(),
+            ),
+            units='deg',
+            cif_handler=CifHandler(
+                names=[
+                    '_extinction.mosaicity',
+                ]
+            ),
+        )
+        self._radius = Parameter(
+            name='radius',
+            description='Crystal radius for extinction correction.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.NUMERIC,
+                default=1.0,
+                content_validator=RangeValidator(),
+            ),
+            units='µm',
+            cif_handler=CifHandler(
+                names=[
+                    '_extinction.radius',
+                ]
+            ),
+        )
+
+        self._identity.category_code = 'extinction'
+
+    @property
+    def mosaicity(self):
+        return self._mosaicity
+
+    @mosaicity.setter
+    def mosaicity(self, value):
+        self._mosaicity.value = value
+
+    @property
+    def radius(self):
+        return self._radius
+
+    @radius.setter
+    def radius(self, value):
+        self._radius.value = value
diff --git a/src/easydiffraction/experiments/categories/instrument/cwl.py b/src/easydiffraction/experiments/categories/instrument/cwl.py
index 0653f93c..8c714c11 100644
--- a/src/easydiffraction/experiments/categories/instrument/cwl.py
+++ b/src/easydiffraction/experiments/categories/instrument/cwl.py
@@ -9,20 +9,14 @@
 from easydiffraction.io.cif.handler import CifHandler
 
 
-class CwlInstrument(InstrumentBase):
-    def __init__(
-        self,
-        *,
-        setup_wavelength=None,
-        calib_twotheta_offset=None,
-    ) -> None:
+class CwlInstrumentBase(InstrumentBase):
+    def __init__(self) -> 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(),
@@ -34,11 +28,31 @@ def __init__(
                 ]
             ),
         )
+
+    @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
+
+
+class CwlScInstrument(CwlInstrumentBase):
+    def __init__(self) -> None:
+        super().__init__()
+
+
+class CwlPdInstrument(CwlInstrumentBase):
+    def __init__(self) -> None:
+        super().__init__()
+
         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(),
@@ -51,16 +65,6 @@ def __init__(
             ),
         )
 
-    @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)."""
diff --git a/src/easydiffraction/experiments/categories/instrument/factory.py b/src/easydiffraction/experiments/categories/instrument/factory.py
index 443957a1..d1d5982c 100644
--- a/src/easydiffraction/experiments/categories/instrument/factory.py
+++ b/src/easydiffraction/experiments/categories/instrument/factory.py
@@ -13,6 +13,7 @@
 from typing import Type
 
 from easydiffraction.experiments.experiment.enums import BeamModeEnum
+from easydiffraction.experiments.experiment.enums import SampleFormEnum
 from easydiffraction.experiments.experiment.enums import ScatteringTypeEnum
 
 if TYPE_CHECKING:
@@ -28,17 +29,26 @@ class InstrumentFactory:
 
     ST = ScatteringTypeEnum
     BM = BeamModeEnum
+    SF = SampleFormEnum
 
     @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
+        from easydiffraction.experiments.categories.instrument.cwl import CwlPdInstrument
+        from easydiffraction.experiments.categories.instrument.cwl import CwlScInstrument
+        from easydiffraction.experiments.categories.instrument.tof import TofPdInstrument
+        from easydiffraction.experiments.categories.instrument.tof import TofScInstrument
 
         return {
             cls.ST.BRAGG: {
-                cls.BM.CONSTANT_WAVELENGTH: CwlInstrument,
-                cls.BM.TIME_OF_FLIGHT: TofInstrument,
+                cls.BM.CONSTANT_WAVELENGTH: {
+                    cls.SF.POWDER: CwlPdInstrument,
+                    cls.SF.SINGLE_CRYSTAL: CwlScInstrument,
+                },
+                cls.BM.TIME_OF_FLIGHT: {
+                    cls.SF.POWDER: TofPdInstrument,
+                    cls.SF.SINGLE_CRYSTAL: TofScInstrument,
+                },
             }
         }
 
@@ -47,11 +57,14 @@ def create(
         cls,
         scattering_type: Optional[ScatteringTypeEnum] = None,
         beam_mode: Optional[BeamModeEnum] = None,
+        sample_form: Optional[SampleFormEnum] = None,
     ) -> InstrumentBase:
         if beam_mode is None:
             beam_mode = BeamModeEnum.default()
         if scattering_type is None:
             scattering_type = ScatteringTypeEnum.default()
+        if sample_form is None:
+            sample_form = SampleFormEnum.default()
 
         supported = cls._supported_map()
 
@@ -70,5 +83,13 @@ def create(
                 f'Supported beam modes: {supported_beam_modes}'
             )
 
-        instrument_class: Type[InstrumentBase] = supported[scattering_type][beam_mode]
+        supported_sample_forms = list(supported[scattering_type][beam_mode].keys())
+        if sample_form not in supported_sample_forms:
+            raise ValueError(
+                f"Unsupported sample form: '{sample_form}' for scattering type: "
+                f"'{scattering_type}' and beam mode: '{beam_mode}'.\n "
+                f'Supported sample forms: {supported_sample_forms}'
+            )
+
+        instrument_class: Type[InstrumentBase] = supported[scattering_type][beam_mode][sample_form]
         return instrument_class()
diff --git a/src/easydiffraction/experiments/categories/instrument/tof.py b/src/easydiffraction/experiments/categories/instrument/tof.py
index ede52d3c..0b3d6558 100644
--- a/src/easydiffraction/experiments/categories/instrument/tof.py
+++ b/src/easydiffraction/experiments/categories/instrument/tof.py
@@ -9,23 +9,19 @@
 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:
+class TofScInstrument(InstrumentBase):
+    def __init__(self) -> None:
+        super().__init__()
+
+
+class TofPdInstrument(InstrumentBase):
+    def __init__(self) -> 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(),
@@ -41,7 +37,6 @@ def __init__(
             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(),
@@ -57,7 +52,6 @@ def __init__(
             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(),
@@ -73,7 +67,6 @@ def __init__(
             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(),
@@ -89,7 +82,6 @@ def __init__(
             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(),
diff --git a/src/easydiffraction/experiments/categories/linked_crystal.py b/src/easydiffraction/experiments/categories/linked_crystal.py
new file mode 100644
index 00000000..81417de2
--- /dev/null
+++ b/src/easydiffraction/experiments/categories/linked_crystal.py
@@ -0,0 +1,71 @@
+# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# SPDX-License-Identifier: BSD-3-Clause
+
+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 LinkedCrystal(CategoryItem):
+    """Linked crystal category for referencing from the experiment for
+    single crystal diffraction.
+    """
+
+    def __init__(self) -> None:
+        super().__init__()
+
+        self._id = StringDescriptor(
+            name='id',
+            description='Identifier of the linked crystal.',
+            value_spec=AttributeSpec(
+                type_=DataTypes.STRING,
+                default='Si',
+                content_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(
+                type_=DataTypes.NUMERIC,
+                default=1.0,
+                content_validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_sc_crystal_block.scale',
+                ]
+            ),
+        )
+
+        self._identity.category_code = 'linked_crystal'
+
+    @property
+    def id(self) -> StringDescriptor:
+        """Identifier of the linked crystal."""
+        return self._id
+
+    @id.setter
+    def id(self, value: str):
+        """Set the linked crystal 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
diff --git a/src/easydiffraction/experiments/categories/linked_phases.py b/src/easydiffraction/experiments/categories/linked_phases.py
index 3ff827d5..497ef69c 100644
--- a/src/easydiffraction/experiments/categories/linked_phases.py
+++ b/src/easydiffraction/experiments/categories/linked_phases.py
@@ -54,6 +54,7 @@ def __init__(
                 ]
             ),
         )
+
         self._identity.category_code = 'linked_phases'
         self._identity.category_entry_name = lambda: str(self.id.value)
 
diff --git a/src/easydiffraction/experiments/experiment/__init__.py b/src/easydiffraction/experiments/experiment/__init__.py
index a2a39eea..dee12f85 100644
--- a/src/easydiffraction/experiments/experiment/__init__.py
+++ b/src/easydiffraction/experiments/experiment/__init__.py
@@ -4,7 +4,8 @@
 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.bragg_sc import CwlScExperiment
+from easydiffraction.experiments.experiment.bragg_sc import TofScExperiment
 from easydiffraction.experiments.experiment.total_pd import TotalPdExperiment
 
 __all__ = [
@@ -12,5 +13,6 @@
     'PdExperimentBase',
     'BraggPdExperiment',
     'TotalPdExperiment',
-    'BraggScExperiment',
+    'CwlScExperiment',
+    'TofScExperiment',
 ]
diff --git a/src/easydiffraction/experiments/experiment/base.py b/src/easydiffraction/experiments/experiment/base.py
index 35ed7b1d..27a75c37 100644
--- a/src/easydiffraction/experiments/experiment/base.py
+++ b/src/easydiffraction/experiments/experiment/base.py
@@ -11,6 +11,9 @@
 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.extinction import Extinction
+from easydiffraction.experiments.categories.instrument.factory import InstrumentFactory
+from easydiffraction.experiments.categories.linked_crystal import LinkedCrystal
 from easydiffraction.experiments.categories.linked_phases import LinkedPhases
 from easydiffraction.experiments.categories.peak.factory import PeakFactory
 from easydiffraction.experiments.categories.peak.factory import PeakProfileTypeEnum
@@ -95,6 +98,58 @@ def _load_ascii_data_to_experiment(self, data_path: str) -> None:
         raise NotImplementedError()
 
 
+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._linked_crystal: LinkedCrystal = LinkedCrystal()
+        self._extinction: Extinction = Extinction()
+        self._instrument = InstrumentFactory.create(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
+        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,
+        )
+
+    @abstractmethod
+    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
+        """Load single crystal data from an ASCII file.
+
+        Args:
+            data_path: Path to data file with columns compatible with
+                the beam mode.
+        """
+        pass
+
+    @property
+    def linked_crystal(self):
+        """Linked crystal model for this experiment."""
+        return self._linked_crystal
+
+    @property
+    def extinction(self):
+        return self._extinction
+
+    @property
+    def instrument(self):
+        return self._instrument
+
+    @property
+    def data(self):
+        return self._data
+
+
 class PdExperimentBase(ExperimentBase):
     """Base class for all powder experiments."""
 
@@ -108,22 +163,20 @@ def __init__(
 
         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,
         )
+        self._peak = PeakFactory.create(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            profile_type=self._peak_profile_type,
+        )
 
     def _get_valid_linked_phases(
         self,
@@ -179,6 +232,10 @@ def excluded_regions(self):
         """Collection of excluded regions for the x-grid."""
         return self._excluded_regions
 
+    @property
+    def data(self):
+        return self._data
+
     @property
     def peak(self) -> str:
         """Peak category object with profile parameters and mixins."""
@@ -193,10 +250,6 @@ def peak(self, value):
         """
         self._peak = value
 
-    @property
-    def data(self):
-        return self._data
-
     @property
     def peak_profile_type(self):
         """Currently selected peak profile type enum."""
diff --git a/src/easydiffraction/experiments/experiment/bragg_pd.py b/src/easydiffraction/experiments/experiment/bragg_pd.py
index 3821419a..b6d5466c 100644
--- a/src/easydiffraction/experiments/experiment/bragg_pd.py
+++ b/src/easydiffraction/experiments/experiment/bragg_pd.py
@@ -9,8 +9,8 @@
 
 from easydiffraction.experiments.categories.background.enums import BackgroundTypeEnum
 from easydiffraction.experiments.categories.background.factory import BackgroundFactory
+from easydiffraction.experiments.categories.instrument.factory import InstrumentFactory
 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
@@ -19,10 +19,9 @@
     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.
+class BraggPdExperiment(PdExperimentBase):
+    """Standard (Bragg) Powder Diffraction experiment class with
+    specific attributes.
     """
 
     def __init__(
@@ -33,28 +32,24 @@ def __init__(
     ) -> None:
         super().__init__(name=name, type=type)
 
+        self._instrument = InstrumentFactory.create(
+            scattering_type=self.type.scattering_type.value,
+            beam_mode=self.type.beam_mode.value,
+            sample_form=self.type.sample_form.value,
+        )
         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``.
+        ``sqrt(y)``.
+
+        If ``sy`` has values smaller than ``0.0001``, they are replaced
+        with ``1.0``.
         """
         try:
             data = np.loadtxt(data_path)
@@ -78,16 +73,21 @@ def _load_ascii_data_to_experiment(self, data_path: str) -> None:
         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._set_x(x)
-        self.data._set_meas(y)
-        self.data._set_meas_su(sy)
+        self.data._create_items_set_xcoord_and_id(x)
+        self.data._set_intensity_meas(y)
+        self.data._set_intensity_meas_su(sy)
 
         console.paragraph('Data loaded successfully')
         console.print(f"Experiment 🔬 '{self.name}'. Number of data points: {len(x)}")
 
+    @property
+    def instrument(self):
+        return self._instrument
+
     @property
     def background_type(self):
         """Current background type enum value."""
@@ -113,6 +113,14 @@ def background_type(self, new_type):
         console.paragraph(f"Background type for experiment '{self.name}' changed to")
         console.print(new_type)
 
+    @property
+    def background(self):
+        return self._background
+
+    @background.setter
+    def background(self, value):
+        self._background = value
+
     def show_supported_background_types(self):
         """Print a table of supported background types."""
         columns_headers = ['Background type', 'Description']
diff --git a/src/easydiffraction/experiments/experiment/bragg_sc.py b/src/easydiffraction/experiments/experiment/bragg_sc.py
index 6b95d559..60ade068 100644
--- a/src/easydiffraction/experiments/experiment/bragg_sc.py
+++ b/src/easydiffraction/experiments/experiment/bragg_sc.py
@@ -1,19 +1,24 @@
 # 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
+import numpy as np
+
+from easydiffraction.experiments.experiment.base import ScExperimentBase
+from easydiffraction.utils.logging import console
+from easydiffraction.utils.logging import log
 
 if TYPE_CHECKING:
     from easydiffraction.experiments.categories.experiment_type import ExperimentType
 
 
-class BraggScExperiment(ExperimentBase):
-    """Single crystal experiment class with specific attributes."""
+class CwlScExperiment(ScExperimentBase):
+    """Standard (Bragg) constant wavelength single srystal experiment
+    class with specific attributes.
+    """
 
     def __init__(
         self,
@@ -22,7 +27,99 @@ def __init__(
         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.')
+    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
+        """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``.
+        """
+        try:
+            data = np.loadtxt(data_path)
+        except Exception as e:
+            log.error(
+                f'Failed to read data from {data_path}: {e}',
+                exc_type=IOError,
+            )
+            return
+
+        if data.shape[1] < 5:
+            log.error(
+                'Data file must have at least 5 columns: h, k, l, Iobs, sIobs.',
+                exc_type=ValueError,
+            )
+            return
+
+        # 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)
+
+        console.paragraph('Data loaded successfully')
+        console.print(f"Experiment 🔬 '{self.name}'. Number of data points: {len(indices_h)}")
+
+
+class TofScExperiment(ScExperimentBase):
+    """Standard (Bragg) time-of-flight single srystal experiment class
+    with specific attributes.
+    """
+
+    def __init__(
+        self,
+        *,
+        name: str,
+        type: ExperimentType,
+    ) -> None:
+        super().__init__(name=name, type=type)
+
+    def _load_ascii_data_to_experiment(self, data_path: str) -> None:
+        """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``.
+        """
+        try:
+            data = np.loadtxt(data_path)
+        except Exception as e:
+            log.error(
+                f'Failed to read data from {data_path}: {e}',
+                exc_type=IOError,
+            )
+            return
+
+        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
+
+        # 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)
+
+        console.paragraph('Data loaded successfully')
+        console.print(f"Experiment 🔬 '{self.name}'. Number of data points: {len(indices_h)}")
diff --git a/src/easydiffraction/experiments/experiment/factory.py b/src/easydiffraction/experiments/experiment/factory.py
index 0db5e347..b1edc64e 100644
--- a/src/easydiffraction/experiments/experiment/factory.py
+++ b/src/easydiffraction/experiments/experiment/factory.py
@@ -8,7 +8,8 @@
 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 CwlScExperiment
+from easydiffraction.experiments.experiment import TofScExperiment
 from easydiffraction.experiments.experiment import TotalPdExperiment
 from easydiffraction.experiments.experiment.enums import BeamModeEnum
 from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
@@ -29,25 +30,53 @@ 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': ['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'],
+            'optional': [
+                'sample_form',
+                'beam_mode',
+                'radiation_probe',
+                'scattering_type',
+            ],
         },
     ]
 
     _SUPPORTED = {
         ScatteringTypeEnum.BRAGG: {
-            SampleFormEnum.POWDER: BraggPdExperiment,
-            SampleFormEnum.SINGLE_CRYSTAL: BraggScExperiment,
+            SampleFormEnum.POWDER: {
+                BeamModeEnum.CONSTANT_WAVELENGTH: BraggPdExperiment,
+                BeamModeEnum.TIME_OF_FLIGHT: BraggPdExperiment,
+            },
+            SampleFormEnum.SINGLE_CRYSTAL: {
+                BeamModeEnum.CONSTANT_WAVELENGTH: CwlScExperiment,
+                BeamModeEnum.TIME_OF_FLIGHT: TofScExperiment,
+            },
         },
         ScatteringTypeEnum.TOTAL: {
-            SampleFormEnum.POWDER: TotalPdExperiment,
+            SampleFormEnum.POWDER: {
+                BeamModeEnum.CONSTANT_WAVELENGTH: TotalPdExperiment,
+                BeamModeEnum.TIME_OF_FLIGHT: TotalPdExperiment,
+            },
         },
     }
 
@@ -84,7 +113,8 @@ def _create_from_gemmi_block(
         # 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]
+        beam_mode = expt_type.beam_mode.value
+        expt_class = cls._SUPPORTED[scattering_type][sample_form][beam_mode]
         expt_obj = expt_class(name=name, type=expt_type)
 
         # Read all categories from CIF block
@@ -124,7 +154,8 @@ def _create_from_data_path(cls, kwargs):
         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]
+        beam_mode = expt_type.beam_mode.value
+        expt_class = cls._SUPPORTED[scattering_type][sample_form][beam_mode]
         expt_name = kwargs['name']
         expt_obj = expt_class(name=expt_name, type=expt_type)
         data_path = kwargs['data_path']
@@ -141,7 +172,8 @@ def _create_without_data(cls, kwargs):
         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]
+        beam_mode = expt_type.beam_mode.value
+        expt_class = cls._SUPPORTED[scattering_type][sample_form][beam_mode]
         expt_name = kwargs['name']
         expt_obj = expt_class(name=expt_name, type=expt_type)
         return expt_obj
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
index 2f2f5f89..6262bd62 100644
--- a/src/easydiffraction/experiments/experiment/total_pd.py
+++ b/src/easydiffraction/experiments/experiment/total_pd.py
@@ -51,9 +51,9 @@ def _load_ascii_data_to_experiment(self, data_path):
         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)
+        self.data._create_items_set_xcoord_and_id(x)
+        self.data._set_g_r_meas(y)
+        self.data._set_g_r_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/io/cif/serialize.py b/src/easydiffraction/io/cif/serialize.py
index 877f6ab1..b6c9dae5 100644
--- a/src/easydiffraction/io/cif/serialize.py
+++ b/src/easydiffraction/io/cif/serialize.py
@@ -25,9 +25,14 @@
 def format_value(value) -> str:
     """Format a single CIF value, quoting strings with whitespace, and
     format floats with global precision.
+
+    .. 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 = 8
-    precision = 4
+    width = 12
+    precision = 8
 
     # Converting
 
diff --git a/src/easydiffraction/project/project.py b/src/easydiffraction/project/project.py
index 980f680b..5d0a53ca 100644
--- a/src/easydiffraction/project/project.py
+++ b/src/easydiffraction/project/project.py
@@ -234,7 +234,7 @@ def plot_meas(
         expt_name,
         x_min=None,
         x_max=None,
-        d_spacing=False,
+        x=None,
     ):
         self._update_categories(expt_name)
         experiment = self.experiments[expt_name]
@@ -245,7 +245,7 @@ def plot_meas(
             experiment.type,
             x_min=x_min,
             x_max=x_max,
-            d_spacing=d_spacing,
+            x=x,
         )
 
     def plot_calc(
@@ -253,7 +253,7 @@ def plot_calc(
         expt_name,
         x_min=None,
         x_max=None,
-        d_spacing=False,
+        x=None,
     ):
         self._update_categories(expt_name)
         experiment = self.experiments[expt_name]
@@ -264,7 +264,7 @@ def plot_calc(
             experiment.type,
             x_min=x_min,
             x_max=x_max,
-            d_spacing=d_spacing,
+            x=x,
         )
 
     def plot_meas_vs_calc(
@@ -273,7 +273,7 @@ def plot_meas_vs_calc(
         x_min=None,
         x_max=None,
         show_residual=False,
-        d_spacing=False,
+        x=None,
     ):
         self._update_categories(expt_name)
         experiment = self.experiments[expt_name]
@@ -285,5 +285,5 @@ def plot_meas_vs_calc(
             x_min=x_min,
             x_max=x_max,
             show_residual=show_residual,
-            d_spacing=d_spacing,
+            x=x,
         )
diff --git a/src/easydiffraction/utils/utils.py b/src/easydiffraction/utils/utils.py
index 2b6f9c50..82118302 100644
--- a/src/easydiffraction/utils/utils.py
+++ b/src/easydiffraction/utils/utils.py
@@ -3,11 +3,11 @@
 
 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
@@ -65,7 +65,6 @@ 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.
@@ -91,7 +90,7 @@ 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.
@@ -614,6 +613,24 @@ def twotheta_to_d(twotheta, wavelength):
     return d
 
 
+def sin_theta_over_lambda_to_d_spacing(sin_theta_over_lambda):
+    """Convert sin(theta)/lambda to d-spacing.
+
+    Parameters:
+        sin_theta_over_lambda (float or np.ndarray): sin(theta)/lambda
+            in 1/Å.
+
+    Returns:
+        d (float or np.ndarray): d-spacing in Å.
+    """
+    # 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
+
+
 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.
diff --git a/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py b/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py
index bba3b2d2..f8d7fd6d 100644
--- a/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py
+++ b/tests/integration/fitting/test_powder-diffraction_constant-wavelength.py
@@ -217,15 +217,15 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
 
     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)
+    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)
 
@@ -279,12 +279,8 @@ def test_single_fit_neutron_pd_cwl_lbco_with_constraints() -> None:
     # 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.add(
-        label='occ_Ba', param_uid=atom_sites['Ba'].occupancy.uid
-    )
+    project.analysis.aliases.add(label='occ_La', param_uid=atom_sites['La'].occupancy.uid)
+    project.analysis.aliases.add(label='occ_Ba', param_uid=atom_sites['Ba'].occupancy.uid)
 
     # Set constraints
     project.analysis.constraints.add(lhs_alias='biso_Ba', rhs_expr='biso_La')
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..0117a90b 100644
--- a/tests/integration/fitting/test_powder-diffraction_time-of-flight.py
+++ b/tests/integration/fitting/test_powder-diffraction_time-of-flight.py
@@ -1,7 +1,6 @@
 # SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
 # SPDX-License-Identifier: BSD-3-Clause
 
-import os
 import tempfile
 
 from numpy.testing import assert_almost_equal
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..da7da7eb
--- /dev/null
+++ b/tests/integration/fitting/test_single-crystal-diffraction.py
@@ -0,0 +1,90 @@
+# SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
+# 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 sample model
+    model_path = ed.download_data(id=20, destination=TEMP_DIR)
+    project.sample_models.add(cif_path=model_path)
+
+    # Set experiment
+    data_path = ed.download_data(id=19, destination=TEMP_DIR)
+    project.experiments.add(
+        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)
+    # Sample model 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 sample model
+    model_path = ed.download_data(id=21, destination=TEMP_DIR)
+    project.sample_models.add(cif_path=model_path)
+
+    # Set experiment
+    data_path = ed.download_data(id=22, destination=TEMP_DIR)
+    project.experiments.add(
+        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)
+    # Sample model 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/unit/easydiffraction/analysis/fit_helpers/test_metrics.py b/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py
index 2af9f167..540c61c7 100644
--- a/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py
+++ b/tests/unit/easydiffraction/analysis/fit_helpers/test_metrics.py
@@ -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):
diff --git a/tests/unit/easydiffraction/core/test_parameters.py b/tests/unit/easydiffraction/core/test_parameters.py
index d16603b8..3183fb81 100644
--- a/tests/unit/easydiffraction/core/test_parameters.py
+++ b/tests/unit/easydiffraction/core/test_parameters.py
@@ -63,7 +63,7 @@ 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'
diff --git a/tests/unit/easydiffraction/display/plotters/test_ascii.py b/tests/unit/easydiffraction/display/plotters/test_ascii.py
index 1ad07bd3..616bc60d 100644
--- a/tests/unit/easydiffraction/display/plotters/test_ascii.py
+++ b/tests/unit/easydiffraction/display/plotters/test_ascii.py
@@ -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..1b81f7c8 100644
--- a/tests/unit/easydiffraction/display/plotters/test_base.py
+++ b/tests/unit/easydiffraction/display/plotters/test_base.py
@@ -32,8 +32,14 @@ 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 SampleFormEnum
     from easydiffraction.experiments.experiment.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..06539f2b 100644
--- a/tests/unit/easydiffraction/display/plotters/test_plotly.py
+++ b/tests/unit/easydiffraction/display/plotters/test_plotly.py
@@ -66,15 +66,15 @@ 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 +85,89 @@ 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..a27c7e47 100644
--- a/tests/unit/easydiffraction/display/test_plotting.py
+++ b/tests/unit/easydiffraction/display/test_plotting.py
@@ -54,51 +54,51 @@ 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 SampleFormEnum
     from easydiffraction.experiments.experiment.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
@@ -114,26 +114,28 @@ def test_plotter_routes_to_ascii_plotter(monkeypatch):
 
     import easydiffraction.display.plotters.ascii as ascii_mod
     from easydiffraction.experiments.experiment.enums import BeamModeEnum
+    from easydiffraction.experiments.experiment.enums import SampleFormEnum
     from easydiffraction.experiments.experiment.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_chebyshev.py b/tests/unit/easydiffraction/experiments/categories/background/test_chebyshev.py
index d2de6aa7..07a61a94 100644
--- a/tests/unit/easydiffraction/experiments/categories/background/test_chebyshev.py
+++ b/tests/unit/easydiffraction/experiments/categories/background/test_chebyshev.py
@@ -14,7 +14,7 @@ def test_chebyshev_background_calculate_and_cif():
     # 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()
diff --git a/tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py b/tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py
index 483873db..23067f3c 100644
--- a/tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py
+++ b/tests/unit/easydiffraction/experiments/categories/background/test_line_segment.py
@@ -14,7 +14,7 @@ def test_line_segment_background_calculate_and_cif():
     # 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()
diff --git a/tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py b/tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py
index dcefa62e..2dc7bd6c 100644
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py
+++ b/tests/unit/easydiffraction/experiments/categories/instrument/test_cwl.py
@@ -1,11 +1,11 @@
 # SPDX-FileCopyrightText: 2021-2026 EasyDiffraction contributors <https://github.com/easyscience/diffraction>
 # SPDX-License-Identifier: BSD-3-Clause
 
-from easydiffraction.experiments.categories.instrument.cwl import CwlInstrument
+from easydiffraction.experiments.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/experiments/categories/instrument/test_factory.py b/tests/unit/easydiffraction/experiments/categories/instrument/test_factory.py
index 79e97077..0c6066b0 100644
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_factory.py
+++ b/tests/unit/easydiffraction/experiments/categories/instrument/test_factory.py
@@ -14,13 +14,13 @@ def test_instrument_factory_default_and_errors():
         return
 
     inst = InstrumentFactory.create()  # defaults
-    assert inst.__class__.__name__ in {'CwlInstrument', 'TofInstrument'}
+    assert inst.__class__.__name__ in {'CwlPdInstrument', 'CwlScInstrument', 'TofPdInstrument', 'TofScInstrument'}
 
     # Valid combinations
     inst2 = InstrumentFactory.create(ScatteringTypeEnum.BRAGG, BeamModeEnum.CONSTANT_WAVELENGTH)
-    assert inst2.__class__.__name__ == 'CwlInstrument'
+    assert inst2.__class__.__name__ == 'CwlPdInstrument'
     inst3 = InstrumentFactory.create(ScatteringTypeEnum.BRAGG, BeamModeEnum.TIME_OF_FLIGHT)
-    assert inst3.__class__.__name__ == 'TofInstrument'
+    assert inst3.__class__.__name__ == 'TofPdInstrument'
 
     # Invalid scattering type
     class FakeST:
diff --git a/tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py b/tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py
index 2d4e48b1..339bcded 100644
--- a/tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py
+++ b/tests/unit/easydiffraction/experiments/categories/instrument/test_tof.py
@@ -5,9 +5,9 @@
 
 
 def test_tof_instrument_defaults_and_setters_and_parameters_and_cif():
-    from easydiffraction.experiments.categories.instrument.tof import TofInstrument
+    from easydiffraction.experiments.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/test_excluded_regions.py b/tests/unit/easydiffraction/experiments/categories/test_excluded_regions.py
index 7aa3e833..bf363e7f 100644
--- a/tests/unit/easydiffraction/experiments/categories/test_excluded_regions.py
+++ b/tests/unit/easydiffraction/experiments/categories/test_excluded_regions.py
@@ -14,7 +14,7 @@ def test_excluded_regions_add_updates_datastore_and_cif():
     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,
diff --git a/tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py b/tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py
index f070d4fd..a0dfa3f2 100644
--- a/tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py
+++ b/tests/unit/easydiffraction/experiments/experiment/test_bragg_pd.py
@@ -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/experiments/experiment/test_bragg_sc.py b/tests/unit/easydiffraction/experiments/experiment/test_bragg_sc.py
index bfbb3e0e..af9a65f7 100644
--- a/tests/unit/easydiffraction/experiments/experiment/test_bragg_sc.py
+++ b/tests/unit/easydiffraction/experiments/experiment/test_bragg_sc.py
@@ -4,7 +4,7 @@
 import pytest
 
 from easydiffraction.experiments.categories.experiment_type import ExperimentType
-from easydiffraction.experiments.experiment.bragg_sc import BraggScExperiment
+from easydiffraction.experiments.experiment.bragg_sc import CwlScExperiment
 from easydiffraction.experiments.experiment.enums import BeamModeEnum
 from easydiffraction.experiments.experiment.enums import RadiationProbeEnum
 from easydiffraction.experiments.experiment.enums import SampleFormEnum
@@ -21,7 +21,7 @@ def _mk_type_sc_bragg():
     )
 
 
-class _ConcreteBraggSc(BraggScExperiment):
+class _ConcreteCwlSc(CwlScExperiment):
     def _load_ascii_data_to_experiment(self, data_path: str) -> None:
         # Not used in this test
         pass
@@ -30,6 +30,7 @@ def _load_ascii_data_to_experiment(self, data_path: str) -> None:
 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()
+    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_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/experiments/experiment/test_total_pd.py b/tests/unit/easydiffraction/experiments/experiment/test_total_pd.py
index 5a4fe416..8f10c692 100644
--- a/tests/unit/easydiffraction/experiments/experiment/test_total_pd.py
+++ b/tests/unit/easydiffraction/experiments/experiment/test_total_pd.py
@@ -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/io/cif/test_serialize.py b/tests/unit/easydiffraction/io/cif/test_serialize.py
index 2cf82f31..d85126e8 100644
--- a/tests/unit/easydiffraction/io/cif/test_serialize.py
+++ b/tests/unit/easydiffraction/io/cif/test_serialize.py
@@ -12,8 +12,8 @@ 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 +26,7 @@ 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():
diff --git a/tests/unit/easydiffraction/io/cif/test_serialize_more.py b/tests/unit/easydiffraction/io/cif/test_serialize_more.py
index 3c197a75..c36a01ab 100644
--- a/tests/unit/easydiffraction/io/cif/test_serialize_more.py
+++ b/tests/unit/easydiffraction/io/cif/test_serialize_more.py
@@ -112,7 +112,7 @@ 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():
diff --git a/tutorials/ed-13.py b/tutorials/ed-13.py
index e2bf1110..1411ba42 100644
--- a/tutorials/ed-13.py
+++ b/tutorials/ed-13.py
@@ -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
@@ -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
@@ -1348,8 +1348,8 @@
 # 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
diff --git a/tutorials/ed-14.py b/tutorials/ed-14.py
new file mode 100644
index 00000000..65d8e98c
--- /dev/null
+++ b/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 Sample Model
+
+# %%
+# Download CIF file from repository
+model_path = ed.download_data(id=20, destination='data')
+
+# %%
+project.sample_models.add(cif_path=model_path)
+
+# %%
+project.sample_models.show_names()
+
+# %%
+sample_model = project.sample_models['tbti']
+
+# %%
+sample_model.atom_sites['Tb'].b_iso.value = 0.0
+sample_model.atom_sites['Ti'].b_iso.value = 0.0
+sample_model.atom_sites['O1'].b_iso.value = 0.0
+sample_model.atom_sites['O2'].b_iso.value = 0.0
+
+# %%
+sample_model.show_as_cif()
+
+# %% [markdown]
+# ## Step 3: Define Experiment
+
+# %%
+data_path = ed.download_data(id=19, destination='data')
+
+# %%
+project.experiments.add(
+    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/tutorials/ed-15.py b/tutorials/ed-15.py
new file mode 100644
index 00000000..c3e178ff
--- /dev/null
+++ b/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 Sample Model
+
+# %%
+# Download CIF file from repository
+model_path = ed.download_data(id=21, destination='data')
+
+# %%
+project.sample_models.add(cif_path=model_path)
+
+# %%
+project.sample_models.show_names()
+
+# %%
+sample_model = project.sample_models['taurine']
+
+# %%
+# sample_model.show_as_cif()
+
+# %% [markdown]
+# ## Step 3: Define Experiment
+
+# %%
+data_path = ed.download_data(id=22, destination='data')
+
+# %%
+project.experiments.add(
+    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/tutorials/index.json b/tutorials/index.json
index 983499fd..14808266 100644
--- a/tutorials/index.json
+++ b/tutorials/index.json
@@ -89,5 +89,12 @@
     "title": "DMSC Summer School 2025: 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"
   }
 }