LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
src/emzed/__init__.py
src/emzed/__main__.py
src/emzed/db.py
src/emzed/ext.py
src/emzed/gui.py
src/emzed/io.py
src/emzed.egg-info/PKG-INFO
src/emzed.egg-info/SOURCES.txt
src/emzed.egg-info/dependency_links.txt
src/emzed.egg-info/not-zip-safe
src/emzed.egg-info/requires.txt
src/emzed.egg-info/top_level.txt
src/emzed/align/__init__.py
src/emzed/align/mz_align.py
src/emzed/align/mz_align_routines.py
src/emzed/align/rt_align.py
src/emzed/align/sample_alignment.py
src/emzed/annotate/__init__.py
src/emzed/annotate/annotate_adducts.py
src/emzed/chemistry/Elements.xml
src/emzed/chemistry/__init__.py
src/emzed/chemistry/abundance.py
src/emzed/chemistry/adducts.py
src/emzed/chemistry/elements.py
src/emzed/chemistry/elements_pubchem.json
src/emzed/chemistry/fetch_elements_pubchem.py
src/emzed/chemistry/fit_formula.py
src/emzed/chemistry/formula_parser.py
src/emzed/chemistry/isotope_generator.py
src/emzed/chemistry/mass.py
src/emzed/chemistry/molecular_formula.py
src/emzed/chemistry/pubchem.py
src/emzed/config/__init__.py
src/emzed/config/config.py
src/emzed/core/__init__.py
src/emzed/core/db_backed_dictionary.py
src/emzed/core/db_backed_model.py
src/emzed/core/exceptions.py
src/emzed/core/hashes.py
src/emzed/core/multiprocessing.py
src/emzed/ms2/__init__.py
src/emzed/ms2/attach_ms2_spectra.py
src/emzed/ms2/merge_spectra.py
src/emzed/ms2/sirius_export.py
src/emzed/ms_data/__init__.py
src/emzed/ms_data/peak_map.py
src/emzed/ms_data/peak_map_hasher.py
src/emzed/optimized/__init__.py
src/emzed/optimized/formula_fit.c
src/emzed/optimized/formula_fit.pyx
src/emzed/peak_picking/__init__.py
src/emzed/peak_picking/centwave.txt
src/emzed/peak_picking/extract_chromatograms.py
src/emzed/peak_picking/extract_ms_chromatograms.py
src/emzed/peak_picking/run_feature_finder_centwave.py
src/emzed/peak_picking/run_feature_finder_metabo.py
src/emzed/peak_picking/run_feature_finder_metabo_on_folder.py
src/emzed/pyopenms/__init__.py
src/emzed/pyopenms/optimizations.py
src/emzed/pyopenms/stderr_redirector.py
src/emzed/quantification/__init__.py
src/emzed/quantification/chromatogram_integration.py
src/emzed/quantification/peak_integration.py
src/emzed/quantification/utils.py
src/emzed/quantification/peak_shape_models/__init__.py
src/emzed/quantification/peak_shape_models/asymmetric_gauss_model.py
src/emzed/quantification/peak_shape_models/base.py
src/emzed/quantification/peak_shape_models/linear_interpolation_model.py
src/emzed/quantification/peak_shape_models/no_model.py
src/emzed/quantification/peak_shape_models/savgol_model.py
src/emzed/quantification/peak_shape_models/simplified_emg.py
src/emzed/r_connect/__init__.py
src/emzed/r_connect/matched_filter.txt
src/emzed/r_connect/r_executor.py
src/emzed/r_connect/xcms_connector.py
src/emzed/remote_package/__init__.py
src/emzed/remote_package/client.py
src/emzed/remote_package/object_handling.py
src/emzed/remote_package/remote_module_wrapper.py
src/emzed/table/SPECIFICATIONS.txt
src/emzed/table/__init__.py
src/emzed/table/add_column.py
src/emzed/table/base_models.py
src/emzed/table/col_types.py
src/emzed/table/collapse.py
src/emzed/table/delete_rows.py
src/emzed/table/expressions.py
src/emzed/table/extract_columns_model.py
src/emzed/table/filter_model.py
src/emzed/table/full_table_model.py
src/emzed/table/group_by.py
src/emzed/table/immutable_table_model.py
src/emzed/table/join.py
src/emzed/table/load_into_from.py
src/emzed/table/pickle.py
src/emzed/table/prepare_table_cell_content.py
src/emzed/table/replace_column.py
src/emzed/table/row_class.py
src/emzed/table/select_model.py
src/emzed/table/sort_model.py
src/emzed/table/table.py
src/emzed/table/table_migrations.py
src/emzed/table/table_utils.py
src/emzed/targeted/__init__.py
src/emzed/targeted/solution_space.py
src/emzed/utils/__init__.py
src/emzed/utils/align_spectra.py
src/emzed/utils/busy_indicator.py
src/emzed/utils/download.py
src/emzed/utils/functools.py
src/emzed/utils/has_emzed_gui.py
src/emzed/utils/lookup.py
src/emzed/utils/numpy.py
src/emzed/utils/sqlite.py
src/emzed/utils/temp_file_handling.py
tests/test_align.py
tests/test_annotate.py
tests/test_chemistry.py
tests/test_config.py
tests/test_expressions.py
tests/test_ext.py
tests/test_extract_chromatograms.py
tests/test_feature_finder.py
tests/test_import.py
tests/test_integration.py
tests/test_io.py
tests/test_ms2_utils.py
tests/test_peak_map.py
tests/test_peak_map_internals.py
tests/test_peak_shape_models.py
tests/test_pubchem.py
tests/test_table.py
tests/test_table_2.py
tests/test_table_expressions.py
tests/test_table_join.py
tests/test_table_utils.py
tests/test_targeted.py
tests/test_utils.py
tests/test_views.py