Validation Log 2025-12-14 21:00:25.794977 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000045/mwtab/txt Study ID: ST000025 Analysis ID: AN000045 File format: txt Status: Contains Validation Issues Number of Issues: 19 Number of Warnings: 5 Number of Value Errors: 13 Number of Consistency Errors: 2 Number of Format Errors: 2 Issue Log: Error: The value, "280C (transfer line)", for the subsection, "CAPILLARY_TEMPERATURE", in the "MS" 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, "1.0 ml/min", for the subsection, "HELIUM_FLOW", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['mL/min']. Ignore this when more complicated descriptions are required. Error: The value, "250C", 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: The value, "250C", for the subsection, "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, "50C(0.5 min)-330C(@20C/min)-330C(5 min)", 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, "250C", 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 value, "20 minutes", for the subsection, "ANALYTICAL_TIME", 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: ['min']. Ignore this when more complicated descriptions are required. Error: The value, "280C", 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, "10 L", for the subsection, "SAMPLE_SYRINGE_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, "SOLVENT_A", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_B", in the "CHROMATOGRAPHY" section is missing. Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "2_5-dihydroxypyrazine NIST" "pelargonic acid_1" "uridine_1" "xylose_1" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "pelargonic acid_2" "uridine_2" "xylose_2" Warning: The following metabolites in the METABOLITES table appear more than once in the table: "2,5-dihydroxypyrazine NIST" Warning: The "ri" column at position 3 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 "ri_type" column at position 4 in the METABOLITES table, matches a standard column name, "retention_index_type". 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 pair, "ri" and "ri_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other. Warning: The standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column.