Validation Log 2025-12-14 23:57:06.939035 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN003133/mwtab/json Study ID: ST001927 Analysis ID: AN003133 File format: json Status: Contains Validation Issues Number of Issues: 37 Number of Warnings: 27 Number of Value Errors: 31 Number of Consistency Errors: 2 Number of Format Errors: 3 Issue Log: Error: The value, "250 ºC", 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, "1 mL.min-1", 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, "70 - 320 ºC", 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, "280 ºC", 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 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. Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][0] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][1] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][2] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][3] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][4] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][5] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][6] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][7] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][8] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][9] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][10] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][11] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][12] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][13] has the following duplicate keys in its Additional sample data: "RAW_FILE_NAME" "RAW_FILE_NAME" Warning: The SSF at ["SUBJECT_SAMPLE_FACTORS"][14] 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"]["Data"] table were not found in the ["MS_METABOLITE_DATA"]["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 ["MS_METABOLITE_DATA"]["Metabolites"] table were not found in the ["MS_METABOLITE_DATA"]["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 ["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 8 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 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. Error: Column(s) with no name were found in the ["MS_METABOLITE_DATA"]["Metabolites"] table. Warning: The "pubchem_id" column at position 2 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "inchi_key" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "kegg_id" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "other_id" column at position 5 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "other_id_type" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "ri" column at position 7 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "ri_type" column at position 8 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "moverz_quant" column at position 9 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values. Warning: The "" column at position 10 in the ["MS_METABOLITE_DATA"]["Metabolites"] table has all null values.