.bumpversion.cfg
.coveragerc
.travis.yml
AUTHORS.rst
CHANGELOG.rst
CONTRIBUTING.rst
LICENSE
MANIFEST.in
README.rst
setup.py
docs/authors.rst
docs/changelog.rst
docs/conf.py
docs/contributing.rst
docs/index.rst
docs/installation.rst
docs/readme.rst
docs/requirements.txt
docs/spelling_wordlist.txt
docs/usage.rst
docs/reference/index.rst
docs/reference/mrfitty.rst
experiment_arsenic/reference_spectra/Arsenopyrite_Julcani_OA.e
experiment_arsenic/reference_spectra/As2O3_ref_avg_als_cal.e
experiment_arsenic/reference_spectra/As_pyrite_A_Foster_sln.e
experiment_arsenic/reference_spectra/Fh2l_sorbed_arsenate_pH7_100uM_als_cal.e
experiment_arsenic/reference_spectra/Fh2l_sorbed_arsenate_pH7_10uM_als_cal.e
experiment_arsenic/reference_spectra/Fh2l_sorbed_arsenite_pH7_10um_als_cal.e
experiment_arsenic/reference_spectra/Fh2l_sorbed_arsenite_pH8_10um_als_cal.e
experiment_arsenic/reference_spectra/Lollingite_Lolling_avg_OA.e
experiment_arsenic/reference_spectra/arsenate_aqueous_avg_als_cal.e
experiment_arsenic/reference_spectra/arsenate_sorbed_anth_avg_als_cal.e
experiment_arsenic/reference_spectra/arsenate_sorbed_calcite_avg1_4_als_cal.e
experiment_arsenic/reference_spectra/arsenate_sorbed_diop_avg_als_cal.e
experiment_arsenic/reference_spectra/arsenate_sorbed_opal_avg1_8_als_cal.e
experiment_arsenic/reference_spectra/arsenate_sorbed_ram_avg1_2_als_cal.e
experiment_arsenic/reference_spectra/arsenite_aqueous_als_cal.e
experiment_arsenic/reference_spectra/arsenopyrite_ref_als_cal.e
experiment_arsenic/reference_spectra/as2o5_powder_ref_als_cal.e
experiment_arsenic/reference_spectra/as2o5_ref_als_cal.e
experiment_arsenic/reference_spectra/goethite_sorbed_arsenate_ref_als_cal_avg.e
experiment_arsenic/reference_spectra/orpiment_all_ref_als_cal.e
experiment_arsenic/reference_spectra/scorodite_A_Foster_sln.e
experiment_arsenic/reference_spectra/sodium_arsenate_13BM_ref_als_cal.e
experiment_arsenic/reference_spectra/sodium_arsenate_ref_als_cal.e
experiment_arsenic/reference_spectra/sodium_arsenite_13BM_ref_als_cal.e
experiment_arsenic/unknown_spectra/OTT3_55_spot0.e
experiment_arsenic/unknown_spectra/OTT3_55_spot1.e
experiment_arsenic/unknown_spectra/OTT3_55_spot2.e
experiment_arsenic/unknown_spectra/OTT3_55_spot3.e
experiment_arsenic/unknown_spectra/OTT3_55_spot4.e
experiment_arsenic/unknown_spectra/Ott3_73_AsQXAS_spot0_avg.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot1_avg.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot2_avg.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot3_avg.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot4_avg1-2.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot5_000.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot6_000.e
experiment_arsenic/unknown_spectra/Ott3_73_AsXANES_spot6_001.e
experiment_arsenic/unknown_spectra/Ott3_74_AsXANES_spot0.e
experiment_arsenic/unknown_spectra/Ott3_74_AsXANES_spot1.e
experiment_arsenic/unknown_spectra/Ott3_74_AsXANES_spot2.e
src/mrfitty/__init__.py
src/mrfitty/__main__.py
src/mrfitty/base.py
src/mrfitty/best_subset_selection.py
src/mrfitty/combination_fit.py
src/mrfitty/fit_task_builder.py
src/mrfitty/linear_model.py
src/mrfitty/loss.py
src/mrfitty.egg-info/PKG-INFO
src/mrfitty.egg-info/SOURCES.txt
src/mrfitty.egg-info/dependency_links.txt
src/mrfitty.egg-info/entry_points.txt
src/mrfitty.egg-info/not-zip-safe
src/mrfitty.egg-info/requires.txt
src/mrfitty.egg-info/top_level.txt
tests/test_arsenic_fit.py
tests/test_best_subset_selection.py
tests/test_combination_fit.py
tests/test_energy_range_builder.py
tests/test_fit_task_builder.py
tests/test_mrfitty.py
tests/test_spectrum.py
tests/test_arsenic_fit/test_arsenic_fit_config.txt
tests/test_arsenic_fit/data/OTT3_55_spot0.e
tests/test_arsenic_fit/data/OTT3_55_spot1.e
tests/test_arsenic_fit/data/OTT3_55_spot2.e
tests/test_arsenic_fit/data/OTT3_55_spot3.e
tests/test_arsenic_fit/data/OTT3_55_spot4.e
tests/test_arsenic_fit/data/Ott3_73_AsQXAS_spot0_avg.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot1_avg.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot2_avg.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot3_avg.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot4_avg1-2.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot5_000.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot6_000.e
tests/test_arsenic_fit/data/Ott3_73_AsXANES_spot6_001.e
tests/test_arsenic_fit/data/Ott3_74_AsXANES_spot0.e
tests/test_arsenic_fit/data/Ott3_74_AsXANES_spot1.e
tests/test_arsenic_fit/data/Ott3_74_AsXANES_spot2.e
tests/test_arsenic_fit/reference/Arsenopyrite_Julcani_OA.e
tests/test_arsenic_fit/reference/As2O3_ref_avg_als_cal.e
tests/test_arsenic_fit/reference/As_database_for_llsq_25_refs.prm
tests/test_arsenic_fit/reference/As_pyrite_A_Foster_sln.e
tests/test_arsenic_fit/reference/Fh2l_sorbed_arsenate_pH7_100uM_als_cal.e
tests/test_arsenic_fit/reference/Fh2l_sorbed_arsenate_pH7_10uM_als_cal.e
tests/test_arsenic_fit/reference/Fh2l_sorbed_arsenite_pH7_10um_als_cal.e
tests/test_arsenic_fit/reference/Fh2l_sorbed_arsenite_pH8_10um_als_cal.e
tests/test_arsenic_fit/reference/Lollingite_Lolling_avg_OA.e
tests/test_arsenic_fit/reference/arsenate_aqueous_avg_als_cal.e
tests/test_arsenic_fit/reference/arsenate_sorbed_anth_avg_als_cal.e
tests/test_arsenic_fit/reference/arsenate_sorbed_calcite_avg1_4_als_cal.e
tests/test_arsenic_fit/reference/arsenate_sorbed_diop_avg_als_cal.e
tests/test_arsenic_fit/reference/arsenate_sorbed_opal_avg1_8_als_cal.e
tests/test_arsenic_fit/reference/arsenate_sorbed_ram_avg1_2_als_cal.e
tests/test_arsenic_fit/reference/arsenite_aqueous_als_cal.e
tests/test_arsenic_fit/reference/arsenopyrite_ref_als_cal.e
tests/test_arsenic_fit/reference/as2o5_powder_ref_als_cal.e
tests/test_arsenic_fit/reference/as2o5_ref_als_cal.e
tests/test_arsenic_fit/reference/goethite_sorbed_arsenate_ref_als_cal_avg.e
tests/test_arsenic_fit/reference/orpiment_all_ref_als_cal.e
tests/test_arsenic_fit/reference/scorodite_A_Foster_sln.e
tests/test_arsenic_fit/reference/sodium_arsenate_13BM_ref_als_cal.e
tests/test_arsenic_fit/reference/sodium_arsenate_ref_als_cal.e
tests/test_arsenic_fit/reference/sodium_arsenite_13BM_ref_als_cal.e