Validation Log 2025-12-14 21:02:30.108846 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000084/mwtab/json Study ID: ST000048 Analysis ID: AN000084 File format: json 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 in ["COLLECTION"]["COLLECTION_SUMMARY"]. A legitimate value should be provided for this required key. Error: An empty value or a null value was detected in ["TREATMENT"]["TREATMENT_SUMMARY"]. A legitimate value should be provided for this required key. Error: An empty value or a null value was detected in ["SAMPLEPREP"]["SAMPLEPREP_SUMMARY"]. A legitimate value should be provided for this required key. Error: The value, "250°C", in ["MS"]["ION_SOURCE_TEMPERATURE"] 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", in ["MS"]["IONIZATION_ENERGY"] 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", in ["MS"]["SOURCE_TEMPERATURE"] 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 in ["MS"]["MS_COMMENTS"]. Either a legitimate value should be provided for this key, or it should be removed altogether. Error: The value, "1ml/min", in ["CHROMATOGRAPHY"]["FLOW_RATE"] 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", in ["CHROMATOGRAPHY"]["COLUMN_TEMPERATURE"] 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", in ["CHROMATOGRAPHY"]["SAMPLE_INJECTION"] 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", in ["CHROMATOGRAPHY"]["INJECTION_TEMPERATURE"] 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", in ["CHROMATOGRAPHY"]["TRANSFERLINE_TEMPERATURE"] 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", in ["CHROMATOGRAPHY"]["SAMPLE_LOOP_SIZE"] 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 ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_A", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "SOLVENT_B", in ["CHROMATOGRAPHY"] is missing. Error: The following metabolites in the, ["MS_METABOLITE_DATA"]["Data"] table were not found in the ["MS_METABOLITE_DATA"]["Metabolites"] table: "1_5-anhydroglucitol" "2_4-diaminobutyric acid minor1" "propane-1_3-diol NIST" Warning: The following metabolites in the ["MS_METABOLITE_DATA"]["Data"] table appear more than once in the table: "threonic acid" "cytidine" Error: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["Data"] table: "2,4-diaminobutyric acid minor1" Warning: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table appear more than once in the table: "threonic acid" "cytidine" Warning: The "inchi_key" column at position 6 in the ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["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.