Validation Log 2025-12-14 21:54:59.299743 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000828/mwtab/txt Study ID: ST000544 Analysis ID: AN000828 File format: txt Status: Contains Validation Issues Number of Issues: 23 Number of Warnings: 9 Number of Value Errors: 16 Number of Consistency Errors: 2 Number of Format Errors: 4 Issue Log: Error: The value, "Medium", for the subsection, "COLLISION_GAS", in the "MS" section should be one of "Nitrogen" or "Argon". Ignore this when more complicated descriptions are required. Error: The value, "500 degrees 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: The value, "-4500", for the subsection, "ION_SPRAY_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V', 'kV']. Ignore this when more complicated descriptions are required. Error: The value, "20uL", for the subsection, "SAMPLE_INJECTION", 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 value, "3.0 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, "10 degrees C", for the subsection, "TARGET_SAMPLE_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, "100uL", 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, "FLOW_RATE", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section is missing. Error: The required property, "SOLVENT_A", in the "CHROMATOGRAPHY" section is missing. Error: SUBJECT_SAMPLE_FACTORS section missing sample ID(s). The following IDs were found in the MS_METABOLITE_DATA section but not in the SUBJECT_SAMPLE_FACTORS: "" 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 "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. Error: Column(s) with no name were found in the MS_METABOLITE_DATA table. Warning: The "retention index" column at position 2 in the METABOLITES table has all null values. Warning: The "quantified m/z" column at position 3 in the METABOLITES table has all null values. Warning: The "PubChem ID" column at position 4 in the METABOLITES table has all null values. Warning: The "KEGG ID" column at position 5 in the METABOLITES table has all null values. Error: The section, MS_METABOLITE_DATA, has a mismatch between the number of headers and the number of elements in each line. Either a line(s) has more values than headers or there are too few headers.