Validation Log 2025-12-14 23:40:25.755117 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN002842/mwtab/json Study ID: ST001746 Analysis ID: AN002842 File format: json Status: Contains Validation Issues Number of Issues: 15 Number of Warnings: 10 Number of Value Errors: 10 Number of Consistency Errors: 0 Number of Format Errors: 5 Issue Log: Error: The required property, "FLOW_GRADIENT", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "FLOW_RATE", in ["CHROMATOGRAPHY"] is missing. Error: The required property, "COLUMN_TEMPERATURE", 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 "Molecular Weight" column at position 6 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "mass". 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 "InChIKey" column at position 4 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "inchi_key". 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 "InChIKey" column at position 4 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: 0 1 1 2 2 3 256 YDYFVUFSPQPPV-PEXOCOHZSA-N Warning: The "Formula" column at position 5 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "formula", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 1 1 2 2 3 8 C7 H13 N O3 S2 10 C11 H21 N O5 17 C18 H31 N O4 19 C11 H23 N O2 29 C4 H7 N O2 30 C28 H50 N O7 P 31 C21 H44 N O7 P 33 C23 H48 N O7 P 34 C6 H15 N O2 38 C8 H9 N O 41 C7 H11 N O 43 C13 H23 N O4 44 C8 H13 N O4 47 C10 H19 N O3 51 C21 H37 N O4 58 C21 H41 N O5 68 C9 H7 N O 70 C5 H7 N O3 71 C7 H15 N O2 79 C4 H7 N O3 84 H3 N O3 S 95 C18 H31 N O4 98 C20 H41 N O3 100 C17 H19 Cl N2 S 102 C5 H13 N O 104 C12 H9 N S 106 C11 H11 N O3 108 C21 H39 N O4 111 C18 H19 Cl N4 112 C18 H19 Cl N4 O 117 C7 H11 N O4 S 121 C14 H17 N O9 125 C20 H35 N O2 129 C5 H9 N O4 135 C5 H9 N O2 136 C9 H15 N O3 141 C6 H13 N O3 157 C26 H43 N O6 161 C6 H13 N O 162 C8 H15 N O3 163 C9 H9 N O3 167 C11 H9 N O2 168 C11 H11 N O3 169 C8 H7 N O4 S 170 C6 H11 N O3 173 C9 H17 N O4 176 C7 H15 N O3 183 C5 H11 N O2 S 186 C9 H11 N O2 188 C3 H7 N O3 189 C4 H9 N O3 190 C9 H11 N O3 193 C5 H11 N O2 194 C26 H52 N O7 P 195 C24 H48 N O7 P 196 C26 H50 N O7 P 197 C28 H48 N O7 P 198 C30 H52 N O7 P 199 C24 H50 N O6 P 200 C26 H54 N O6 P 201 C23 H46 N O7 P 202 C25 H44 N O7 P 206 C8 H17 N O2 209 C11 H17 N O 217 C5 H9 N O3 218 C11 H13 N O3 219 C11 H13 N O4 220 C5 H9 N O4 221 C4 H9 N O4 S 223 C6 H5 N O2 224 C7 H13 N O3 225 C27 H45 N O4 226 C18 H37 N O 229 C18 H35 N O 232 C20 H39 N O2 239 C16 H33 N O 241 C18 H37 N O2 244 C45 H78 N O8 P 247 C10 H11 N O3 253 C6 H11 N O2 254 C9 H17 N O3 255 C26 H54 N O7 P 257 C8 H17 N O2 260 C5 H9 N O2 261 C7 H13 N O2 262 C17 H20 N2 O S 263 C17 H20 N2 O S 264 C10 H19 N O4 268 C38 H72 N O10 P 277 C23 H27 F N4 O2 278 C6 H10 O S 279 C13 H21 N O3 281 C9 H9 N O4 282 C6 H11 N O2 S 288 C18 H40 N O5 P 289 C18 H38 N O5 P 290 C25 H49 N O4 294 C26 H43 N O7 S 296 C2 H7 N O3 S 302 C5 H9 N O2 S 306 C12 H21 N O4 307 C11 H13 N O3 308 C8 H15 N O2 309 C19 H35 N O4 310 C23 H43 N O4 315 C2 H F3 O2 316 C6 H9 N O3 317 C41 H67 N O15 318 C53 H87 N O19 321 C13 H23 N O3 322 C5 H11 N O2 324 C6 H11 N O2 Warning: The "KEGG" column at position 3 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "kegg_id". 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 "KEGG" column at position 3 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: 0 1 1 2 2 3 Warning: The "Human Metabolome Database" column at position 2 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "hmdb_id". 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 "Human Metabolome Database" column at position 2 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "hmdb_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: 0 1 1 2 2 3 Warning: The "RT [min]" column at position 7 in the ["MS_METABOLITE_DATA"]["Metabolites"] table, matches a standard column name, "retention_time". 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 "mzCloud Library Match: Autoprocessed" 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.