Validation Log 2025-12-15 00:03:07.384371 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003243/mwtab/txt Study ID: ST001990 Analysis ID: AN003243 File format: txt Status: Contains Validation Issues Number of Issues: 57 Number of Warnings: 46 Number of Value Errors: 51 Number of Consistency Errors: 2 Number of Format Errors: 3 Issue Log: Error: An empty value or a null value was detected for the "RAW_FILE_NAME" in "Additional sample data" in entry 34 of the "SUBJECT_SAMPLE_FACTORS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: An empty value or a null value was detected for the "RAW_FILE_NAME" in "Additional sample data" in entry 35 of the "SUBJECT_SAMPLE_FACTORS" section. Either a legitimate value should be provided for this subsection, or it should be removed altogether. Error: The value, "250 ºC", 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, "1 mL.min-1", 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, "70 - 320 ºC", 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, "280 ºC", 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 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. Warning: SUBJECT_SAMPLE_FACTORS entry #1 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #2 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #3 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #4 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #5 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #6 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #7 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #8 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #9 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #10 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #11 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #12 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #13 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #14 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #15 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #16 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #17 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #18 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #19 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #20 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #21 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #22 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #23 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #24 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #25 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #26 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #27 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #28 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #29 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #30 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #31 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #32 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #33 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #34 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: SUBJECT_SAMPLE_FACTORS entry #35 has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "1_2-Ethenediol" "1_3-Butanediol" "1-Isobutylsulfanylmethyl-2_8_9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane" "2_5-Dimethoxymandelic acid" "L-Homocystine_ [S-(R*_R*)]-" "N-ethoxycarbonyl-_ nonyl ester_ L-Norvaline" "N-methoxycarbonyl-_ isohexyl ester_ L-Norleucine" "N-methyl-n-butoxycarbonyl-_ octyl ester_ Alanine" "N-methyl-N-methoxycarbonyl-_ undecyl ester_ Alanine" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "1,2-Ethenediol" "1,3-Butanediol" "1-Isobutylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane" "2,5-Dimethoxymandelic acid" "L-Homocystine, [S-(R*,R*)]-" "N-ethoxycarbonyl-, nonyl ester, L-Norvaline" "N-methoxycarbonyl-, isohexyl ester, L-Norleucine" "N-methyl-n-butoxycarbonyl-, octyl ester, Alanine" "N-methyl-N-methoxycarbonyl-, undecyl ester, Alanine" Warning: The "ri" column at position 7 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 8 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 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 "pubchem_id" column at position 2 in the METABOLITES table has all null values. Warning: The "inchi_key" column at position 3 in the METABOLITES table has all null values. Warning: The "kegg_id" column at position 4 in the METABOLITES table has all null values. Warning: The "other_id" column at position 5 in the METABOLITES table has all null values. Warning: The "other_id_type" column at position 6 in the METABOLITES table has all null values. Warning: The "ri" column at position 7 in the METABOLITES table has all null values. Warning: The "ri_type" column at position 8 in the METABOLITES table has all null values. Warning: The "moverz_quant" column at position 9 in the METABOLITES table has all null values.