Validation Log 2025-12-14 22:53:58.213665 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN001928/mwtab/txt Study ID: ST001166 Analysis ID: AN001928 File format: txt Status: Contains Validation Issues Number of Issues: 13 Number of Warnings: 6 Number of Value Errors: 9 Number of Consistency Errors: 0 Number of Format Errors: 3 Issue Log: Error: The value, "250°C", for the subsection, "ION_SOURCE_TEMPERATURE", in the "MS" 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: 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, "50-330", 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, "50°C ramped to 250°C by 12°C s-1", for the subsection, "INJECTION_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'] or "room temperature". 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 "quantified m/z" 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 "InChI Key" column at position 6 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 ID" column at position 4 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 ID" column at position 5 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 "retention 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 "retention 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.