Validation Log 2025-12-14 21:06:02.750721 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000142/mwtab/txt Study ID: ST000089 Analysis ID: AN000142 File format: txt Status: Contains Validation Issues Number of Issues: 27 Number of Warnings: 9 Number of Value Errors: 23 Number of Consistency Errors: 2 Number of Format Errors: 0 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, "3500", for the subsection, "CAPILLARY_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, "13 l/min", for the subsection, "DRY_GAS_FLOW", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['L/hr', 'L/min']. Ignore this when more complicated descriptions are required. Error: The value, "200", for the subsection, "DRY_GAS_TEMP", 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, "175", for the subsection, "FRAGMENT_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required. Error: The value, "325", 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, "1000", 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, "Neg", for the subsection, "IONIZATION", in the "MS" section should not be "positive" or "negative". "ION_MODE" is where that should be indicated. Error: The value, "11 l/min", for the subsection, "DESOLVATION_GAS_FLOW", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['L/hr', 'L/min']. Ignore this when more complicated descriptions are required. Error: The value, "750", for the subsection, "OCTPOLE_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required. Error: The value, "65", for the subsection, "SKIMMER_VOLTAGE", in the "MS" section should be a number followed by a space with a unit (ex. "5 V") from the following list: ['V']. Ignore this when more complicated descriptions are required. Error: The value, "3500", for the subsection, "CAPILLARY_VOLTAGE", in the "CHROMATOGRAPHY" 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, "5 seconds", for the subsection, "WEAK_WASH_VOLUME", 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, "Autosampler temp 4 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 following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)" "PC (40:6)_1" "plasmenyl-PC (34:2)_1" "plasmenyl-PE (34:1)_1" "plasmenyl-PE (34:2)_1" "plasmenyl-PE (36:1)_1" "plasmenyl-PE (36:2)_1" "plasmenyl-PE (38:2)_1" "plasmenyl-PE (38:3)_1" "plasmenyl-PE (38:4)_1" "plasmenyl-PE (38:5)_1" "plasmenyl-PE (40:4)_1" "plasmenyl-PE (40:6)_1" "SM (d38:1)_1" "SM (d40:1)_1" "SM (d42:1)_1" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "PC (40:6)_2" "plasmenyl-PC (34:2)_2" "plasmenyl-PE (34:1)_2" "plasmenyl-PE (34:2)_2" "plasmenyl-PE (36:1)_2" "plasmenyl-PE (36:2)_2" "plasmenyl-PE (38:2)_2" "plasmenyl-PE (38:3)_2" "plasmenyl-PE (38:4)_2" "plasmenyl-PE (38:5)_2" "plasmenyl-PE (40:4)_2" "plasmenyl-PE (40:6)_2" "SM (d38:1)_2" "SM (d40:1)_2" "SM (d42:1)_2" 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_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 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. Warning: The "inchi_key" column at position 6 in the METABOLITES table has all null values. Warning: The "kegg_id" column at position 7 in the METABOLITES table has all null values. Warning: The "other_id" column at position 8 in the METABOLITES table has all null values. Warning: The "other_id_type" column at position 9 in the METABOLITES table has all null values. Warning: The "pubchem_id" column at position 5 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.