matchms.filtering.metadata_processing package

Submodules

• matchms.filtering.metadata_processing.add_compound_name module
  • add_compound_name()
• matchms.filtering.metadata_processing.add_fingerprint module
  • add_fingerprint()
• matchms.filtering.metadata_processing.add_parent_mass module
  • add_parent_mass()
• matchms.filtering.metadata_processing.add_precursor_mz module
  • add_precursor_mz()
• matchms.filtering.metadata_processing.add_retention module
  • add_retention_index()
  • add_retention_time()
• matchms.filtering.metadata_processing.clean_adduct module
  • clean_adduct()
• matchms.filtering.metadata_processing.clean_compound_name module
  • clean_compound_name()
• matchms.filtering.metadata_processing.correct_charge module
  • correct_charge()
• matchms.filtering.metadata_processing.derive_adduct_from_name module
  • derive_adduct_from_name()
• matchms.filtering.metadata_processing.derive_annotation_from_compound_name module
  • derive_annotation_from_compound_name()
• matchms.filtering.metadata_processing.derive_formula_from_name module
  • derive_formula_from_name()
• matchms.filtering.metadata_processing.derive_inchi_from_smiles module
  • derive_inchi_from_smiles()
• matchms.filtering.metadata_processing.derive_inchikey_from_inchi module
  • derive_inchikey_from_inchi()
• matchms.filtering.metadata_processing.derive_ionmode module
  • derive_ionmode()
• matchms.filtering.metadata_processing.derive_smiles_from_inchi module
  • derive_smiles_from_inchi()
• matchms.filtering.metadata_processing.harmonize_undefined_inchi module
  • harmonize_undefined_inchi()
• matchms.filtering.metadata_processing.harmonize_undefined_inchikey module
  • harmonize_undefined_inchikey()
• matchms.filtering.metadata_processing.harmonize_undefined_smiles module
  • harmonize_undefined_smiles()
• matchms.filtering.metadata_processing.interpret_pepmass module
  • interpret_pepmass()
• matchms.filtering.metadata_processing.make_charge_int module
  • make_charge_int()
• matchms.filtering.metadata_processing.repair_adduct_based_on_smiles module
  • repair_adduct_based_on_smiles()
• matchms.filtering.metadata_processing.repair_inchi_inchikey_smiles module
  • repair_inchi_inchikey_smiles()
• matchms.filtering.metadata_processing.repair_not_matching_annotation module
  • repair_not_matching_annotation()
• matchms.filtering.metadata_processing.repair_parent_mass_is_mol_wt module
  • repair_parent_mass_is_mol_wt()
• matchms.filtering.metadata_processing.repair_parent_mass_match_smiles_wrapper module
  • repair_parent_mass_match_smiles_wrapper()
• matchms.filtering.metadata_processing.repair_precursor_is_parent_mass module
  • repair_precursor_is_parent_mass()
• matchms.filtering.metadata_processing.repair_smiles_of_salts module
  • repair_smiles_of_salts()
• matchms.filtering.metadata_processing.require_correct_ionmode module
  • require_correct_ionmode()
• matchms.filtering.metadata_processing.require_parent_mass_match_smiles module
  • require_parent_mass_match_smiles()
• matchms.filtering.metadata_processing.require_precursor_below_mz module
  • require_precursor_below_mz()
• matchms.filtering.metadata_processing.require_precursor_mz module
  • require_precursor_mz()
• matchms.filtering.metadata_processing.require_valid_annotation module
  • require_valid_annotation()