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When reading the data we should use unified column headers for downstream processing.
Current header in MAF are (plus potential mapping) database_identifier chemical_formula smiles => smiles inchi => inchi metabolite_identification mass_to_charge => mz fragmentation modifications charge retention_time => rtime (in seconds) taxid => taxid species => species database database_version reliability => msi uri search_engine search_engine_score smallmolecule_abundance_sub smallmolecule_abundance_stdev_sub smallmolecule_abundance_std_error_sub
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michaelwitting commentedon Sep 16, 2020
@sneumann any idea also how to guess if a given RT was in minutes or seconds?