.copier-answers.yml
.gitignore
.gitleaks.toml
.pre-commit-config.yaml
.python-version
Dockerfile
LICENSE
README.md
catalog-info.yaml
pyproject.toml
renovate.json
uv.lock
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.github/CONTRIBUTING.md
.github/ISSUE_TEMPLATE/bug_report.md
.github/ISSUE_TEMPLATE/issue.md
.github/PULL_REQUEST_TEMPLATE/pull_request_template.md
.github/pages/index.html
.github/pages/make_switcher.py
.github/workflows/_container.yml
.github/workflows/_dist.yml
.github/workflows/_pypi.yml
.github/workflows/_release.yml
.github/workflows/_test.yml
.github/workflows/_tox.yml
.github/workflows/ci.yml
.vscode/extensions.json
.vscode/launch.json
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.vscode/tasks.json
cifs/CeO2.cif
cifs/Lab6.cif
cifs/Si.cif
cifs/si_data.txt
config/i11/bad_channels.txt
config/i11/mythen3_reduction_config.toml
src/xrpd_toolbox/__init__.py
src/xrpd_toolbox/__main__.py
src/xrpd_toolbox/_version.py
src/xrpd_toolbox/core.py
src/xrpd_toolbox/data_loader.py
src/xrpd_toolbox/plotting.py
src/xrpd_toolbox.egg-info/PKG-INFO
src/xrpd_toolbox.egg-info/SOURCES.txt
src/xrpd_toolbox.egg-info/dependency_links.txt
src/xrpd_toolbox.egg-info/entry_points.txt
src/xrpd_toolbox.egg-info/requires.txt
src/xrpd_toolbox.egg-info/top_level.txt
src/xrpd_toolbox/fit_engine/__init__.py
src/xrpd_toolbox/fit_engine/atom.py
src/xrpd_toolbox/fit_engine/background.py
src/xrpd_toolbox/fit_engine/constants.py
src/xrpd_toolbox/fit_engine/fit_statistics.py
src/xrpd_toolbox/fit_engine/fitting_core.py
src/xrpd_toolbox/fit_engine/form_factors.py
src/xrpd_toolbox/fit_engine/lattice.py
src/xrpd_toolbox/fit_engine/peak_shape_functions.py
src/xrpd_toolbox/fit_engine/peaks.py
src/xrpd_toolbox/fit_engine/phase_matching.py
src/xrpd_toolbox/fit_engine/profile_calculation.py
src/xrpd_toolbox/fit_engine/symmetry.py
src/xrpd_toolbox/fit_engine/constants/atom_form_factors.csv
src/xrpd_toolbox/fit_engine/constants/international_tables_of_crystallography.yaml
src/xrpd_toolbox/fit_engine/constants/symmetry_operations.yaml
src/xrpd_toolbox/gui/__init__,py
src/xrpd_toolbox/gui/bad_pixel_gui.py
src/xrpd_toolbox/gui/reprocessor.py
src/xrpd_toolbox/gui/reprocessor_gui.py
src/xrpd_toolbox/gui/waffle.py
src/xrpd_toolbox/i11/__init__.py
src/xrpd_toolbox/i11/angular_calibration.py
src/xrpd_toolbox/i11/mythen.py
src/xrpd_toolbox/i11/mythen3_reduction_legacy.py
src/xrpd_toolbox/i11/mythen_pyfai.py
src/xrpd_toolbox/i15_1/__init__.py
src/xrpd_toolbox/i15_1/eiger_500k.py
src/xrpd_toolbox/i15_1/pe2ad.py
src/xrpd_toolbox/i15_1/sample_alignment.py
src/xrpd_toolbox/i15_1/sample_alignment_data/GaIn-94521.csv
src/xrpd_toolbox/i15_1/sample_alignment_data/HKUST1-95018.csv
src/xrpd_toolbox/i15_1/sample_alignment_data/NIST_Si-95016.csv
src/xrpd_toolbox/i15_1/sample_alignment_data/NaCl-95017.csv
src/xrpd_toolbox/i15_1/sample_alignment_data/carbon_black-94519.csv
src/xrpd_toolbox/i15_1/sample_alignment_data/water-94520.csv
src/xrpd_toolbox/utils/__init__.py
src/xrpd_toolbox/utils/cif_reader.py
src/xrpd_toolbox/utils/graph.py
src/xrpd_toolbox/utils/logger.py
src/xrpd_toolbox/utils/messenger.py
src/xrpd_toolbox/utils/mythen_utils.py
src/xrpd_toolbox/utils/unit_conversion.py
src/xrpd_toolbox/utils/utils.py
tests/conftest.py
tests/test_cli.py
tests/test_core.py
tests/test_eiger.py
tests/test_lattice.py
tests/test_mythen.py
tests/test_profile_calc.py
tests/test_sample_alignment.py
tests/test_utils.py
tests/data/1410696_summed_mythen3.xye