Validation Log 2025-12-14 21:03:00.731957 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000099/mwtab/json Study ID: ST000061 Analysis ID: AN000099 File format: json Status: Contains Validation Issues Number of Issues: 27 Number of Warnings: 10 Number of Value Errors: 22 Number of Consistency Errors: 1 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: 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: "1_5-anhydroglucitol" "2_3-dihydroxypyridine" "2_5-dihydroxypyrazine NIST" "propane-1_3-diol NIST" Warning: The following metabolites in the ["MS_METABOLITE_DATA"]["Data"] table appear more than once in the table: "trans-4-hydroxyproline" "threonic acid" "salicylaldehyde" "ornithine" "maltotriose" "linoleic acid" "glucose" "conduritol-beta-epoxide" Warning: The following metabolites in the ["MS_METABOLITE_DATA"]["Metabolites"] table appear more than once in the table: "trans-4-hydroxyproline" "threonic acid" "salicylaldehyde" "ornithine" "maltotriose" "linoleic acid" "glucose" "conduritol-beta-epoxide" 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: 133 C01157 134 C01620 135 C06202 136 C00077 137 C01835 138 C00208 139 C01595 140 C00639 141 C00221 142 C02095 143 C00712 144 0 Warning: The "kegg_id" column at position 7 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "kegg_id", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 1 0 4 0 34 0 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: 133 5810 134 5460407 135 6998 136 6262 137 439586 138 439186 139 5280450 140 5280363 141 64689 142 439650 143 445639 144 9989541 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. Warning: The "ri_type" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table may have incorrect values. 90% or more of the values are the same, but 10% or less are different. Warning: The "other_id_type" column at position 9 in the ["MS_METABOLITE_DATA"]["Metabolites"] table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.