Validation Log 2025-12-14 21:02:28.295001 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000084/mwtab/txt Study ID: ST000048 Analysis ID: AN000084 File format: txt Status: Contains Validation Issues Number of Issues: 27 Number of Warnings: 9 Number of Value Errors: 20 Number of Consistency Errors: 2 Number of Format Errors: 3 Issue Log: Error: An empty value or a null value was detected for the subsection, "COLLECTION_SUMMARY", in the "COLLECTION" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "TREATMENT_SUMMARY", in the "TREATMENT" section. A legitimate value should be provided for this required subsection. Error: An empty value or a null value was detected for the subsection, "SAMPLEPREP_SUMMARY", in the "SAMPLEPREP" section. A legitimate value should be provided for this required subsection. 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: The value, "-70eV", for the subsection, "IONIZATION_ENERGY", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['eV']. Ignore this when more complicated descriptions are required. Error: The value, "250°C", 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, "1ml/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, "50-330oC", 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, "0.5uL", 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, "50C ramped to 250C by 12C 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 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. Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "1_5-anhydroglucitol" "2_4-diaminobutyric acid minor1" "propane-1_3-diol NIST" Warning: The following metabolites in the MS_METABOLITE_DATA table appear more than once in the table: "threonic acid" "cytidine" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "2,4-diaminobutyric acid minor1" Warning: The following metabolites in the METABOLITES table appear more than once in the table: "threonic acid" "cytidine" Warning: The "inchi_key" column at position 6 in the METABOLITES table, matches a standard column name, "inchi_key", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 141 C00086 144 C01602 148 207461 149 496 151 C01712 152 C00475 153 367 154 C00542 156 C00499 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" column at position 3 in the METABOLITES table, matches a standard column name, "retention_index", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 148 Peak Area 149 Peak Area 153 Peak Area 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 "ri_type" column at position 4 in the METABOLITES table, matches a standard column name, "retention_index_type", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 141 1176 142 439535 143 644102 144 389 145 644170 146 294 147 3159586 148 253307 149 285 150 439554 151 637517 152 6175 153 1864 154 834 155 553857 156 203 157 441 158 470 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.