Validation Log 2025-12-14 21:31:48.637871 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000615/mwtab/txt Study ID: ST000381 Analysis ID: AN000615 File format: txt Status: Contains Validation Issues Number of Issues: 18 Number of Warnings: 8 Number of Value Errors: 13 Number of Consistency Errors: 0 Number of Format Errors: 4 Issue Log: Error: An empty value or a null value was detected for the subsection, "MS_COMMENTS", in the "MS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: The value, "1 ml/min", for the subsection, "FLOW_RATE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "50-330C", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The value, "7.7 PSI", for the subsection, "COLUMN_PRESSURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['psi', 'bar']. Ignore this when more complicated descriptions are required. Error: The value, "230C", for the subsection, "TRANSFERLINE_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Error: The value, "30 m length x 0.25 mm internal diameter", for the subsection, "SAMPLE_LOOP_SIZE", in the "CHROMATOGRAPHY" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['μL', 'uL']. Ignore this when more complicated descriptions are required. Error: The required property, "FLOW_GRADIENT", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_A", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_B", in the "CHROMATOGRAPHY" section is missing. Warning: The "quant mz" column at position 3 in the METABOLITES table, matches a standard column name, "moverz_quant". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "mass spec" column at position 5 in the METABOLITES table, matches a standard column name, "mass_spectrum". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "InChI Key" column at position 8 in the METABOLITES table, matches a standard column name, "inchi_key". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "PubChem" column at position 7 in the METABOLITES table, matches a standard column name, "pubchem_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "KEGG" column at position 6 in the METABOLITES table, matches a standard column name, "kegg_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "BB id" column at position 4 in the METABOLITES table, matches a standard column name, "binbase_id". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "ret.index" column at position 2 in the METABOLITES table, matches a standard column name, "retention_index". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The column "ret.index" was found in the METABOLITES table, but this column implies that another column, "retention_index_type", should also exist, and that column was not found. Error: The MS_METABOLITE_DATA table does not have a column for "Samples". It is likely misspelled or using a common incorrect substitute.