Validation Log 2025-12-14 23:57:05.472977 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003133/mwtab/txt Study ID: ST001927 Analysis ID: AN003133 File format: txt Status: Contains Validation Issues Number of Issues: 35 Number of Warnings: 26 Number of Value Errors: 29 Number of Consistency Errors: 2 Number of Format Errors: 3 Issue Log: 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" Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table: "1_2_3_4-tetrahydro-6-methoxy-1-salicyl-7-Isoquinolinol" "1_2-Hexadecanediol" "1_3-Butanediol" "1_4-lactone_ Allonic acid" "1_5-Anhydro-D-sorbitol" "2_5-Dimethoxymandelic acid" "2^-Deoxyadenosine" "Adenosine-5^-monophosphate" "cis-4-Decene-1_10-dioic acid" "L-Homocystine_ [S-(R*_R*)]-" "N-ethoxycarbonyl-_ nonyl ester_ L-Norvaline" "N-methoxycarbonyl-_ isohexyl ester_ L-Norleucine" "N-methyl-N-methoxycarbonyl-_ undecyl ester_ Alanine" "Octahydro-2_2^-Bifuran" "Uridine-5^-monophosphate" Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table: "1,2,3,4-tetrahydro-6-methoxy-1-salicyl-7-Isoquinolinol" "1,2-Hexadecanediol" "1,3-Butanediol" "1,4-lactone, Allonic acid" "1,5-Anhydro-D-sorbitol" "2,5-Dimethoxymandelic acid" "2'-Deoxyadenosine" "Adenosine-5'-monophosphate" "cis-4-Decene-1,10-dioic acid" "L-Homocystine, [S-(R*,R*)]-" "N-ethoxycarbonyl-, nonyl ester, L-Norvaline" "N-methoxycarbonyl-, isohexyl ester, L-Norleucine" "N-methyl-N-methoxycarbonyl-, undecyl ester, Alanine" "Octahydro-2,2'-Bifuran" "Uridine-5'-monophosphate" 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.