Validation Log 2025-12-14 21:02:57.320619 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000096/mwtab/json Study ID: ST000058 Analysis ID: AN000096 File format: json Status: Contains Validation Issues Number of Issues: 27 Number of Warnings: 8 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, "1 ml/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 - 330C", 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, "0.5l", 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, "7.7 PSI (initial condition)", in ["CHROMATOGRAPHY"]["COLUMN_PRESSURE"] should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['psi', 'bar']. Ignore this when more complicated descriptions are required. Error: The value, "50C ramped to 250C by 12C/s", 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: "5^-deoxy-5^-methylthioadenosine" "butane-2_3-diol" "cytidine-5^-diphosphate" "fructose-1_6-bisphosphate" "inosine 5^-monophosphate" "pyrazine 2_5-dihydroxy NIST" "uridine-5^-monophosphate" Warning: The following metabolites in the ["MS_METABOLITE_DATA"]["Data"] table appear more than once in the table: "urea" "N-acetylaspartic acid" "fructose" "CMP" "2-ketoisocaproic acid" Error: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["Data"] table: "5'-deoxy-5'-methylthioadenosine" "cytidine-5'-diphosphate" "inosine 5'-monophosphate" "pyrazine 2,5-dihydroxy NIST" "uridine-5'-monophosphate" Warning: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table appear more than once in the table: "urea" "N-acetylaspartic acid" "fructose" "CMP" "2-ketoisocaproic acid" 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 C00310 142 C00105 145 C01712 146 C01042 148 C01835 149 C00208 151 C00130 154 C00092 155 C00446 156 C01235 157 C00122 158 C00095 159 C00022 160 C00112 161 C00055 162 C00170 163 C00233 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_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 5289590 142 6030 144 23368901 145 5282749 146 65065 147 10465 148 92146 149 6255 151 8582 152 193325 153 16639161 154 5958 155 99058 156 439451 157 444972 158 5984 159 1060 160 290 161 6131 162 439176 163 70 164 14900 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.