CITATION.cff
CLAUDE.md
CONTRIBUTING.md
LICENSE
MANIFEST.in
README.md
manual.md
pyproject.toml
setup.py
example_data_do_not_modify/LTA/LTA1/comparison_0.8A_edref.png
example_data_do_not_modify/LTA/LTA1/comparison_0.8A_shelxl.png
example_data_do_not_modify/LTA/LTA1/comparison_edref.png
example_data_do_not_modify/LTA/LTA1/comparison_shelxl.png
example_data_do_not_modify/LTA/LTA1/t1_no-error-model.hkl
example_data_do_not_modify/LTA/LTA1/t1_no-error-model.ins
example_data_do_not_modify/LTA/LTA4/t4_no-error-model.hkl
example_data_do_not_modify/LTA/LTA4/t4_no-error-model.ins
example_data_do_not_modify/aspirin/Aspirin.hkl
example_data_do_not_modify/aspirin/Aspirin.ins
example_data_do_not_modify/mfm300/2.hkl
example_data_do_not_modify/mfm300/2.ins
src/edref/__init__.py
src/edref/__main__.py
src/edref.egg-info/PKG-INFO
src/edref.egg-info/SOURCES.txt
src/edref.egg-info/dependency_links.txt
src/edref.egg-info/entry_points.txt
src/edref.egg-info/requires.txt
src/edref.egg-info/top_level.txt
src/edref/analysis/__init__.py
src/edref/analysis/dynamical.py
src/edref/analysis/merging.py
src/edref/analysis/robust_scaling.py
src/edref/analysis/visualization.py
src/edref/cli/__init__.py
src/edref/cli/refine.py
src/edref/cli/runners.py
src/edref/core/__init__.py
src/edref/core/crystallography.py
src/edref/core/scattering.py
src/edref/core/spacegroup_data.py
src/edref/core/spacegroup_database.py
src/edref/core/structure_factors.py
src/edref/core/symmetry.py
src/edref/io/__init__.py
src/edref/io/formats.py
src/edref/io/shelxl.py
src/edref/refinement/__init__.py
src/edref/refinement/derivatives.py
src/edref/refinement/engine.py
src/edref/refinement/extinction.py
src/edref/refinement/normal_equations.py
src/edref/refinement/parameters.py
src/edref/refinement/statistics.py
src/edref/refinement/weighting.py
tests/conftest.py
tests/test_iterative.py
tests/test_refinement.py
tests/test_spacegroup_database.py
tests/test_systematic_absences.py