matchms.filtering.metadata_processing.repair_inchi_inchikey_smiles module

matchms.filtering.metadata_processing.repair_inchi_inchikey_smiles.repair_inchi_inchikey_smiles(spectrum_in: Spectrum) → Spectrum

Check if inchi, inchikey, and smiles entries seem correct. Detect and correct if any of those entries clearly belongs into one of the other two fields (e.g. inchikey found in inchi field).