Comparison Log
2024-05-26 01:16:16.216720
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000136/mwtab/...
Study ID:    ST000084
Analysis ID: AN000136
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', 'After converting raw data to netCDF format, the data were processed by the software for peak deconvolution and chromatographic alignment. Retention (RI) were calculated based on the analysis of a mixture of fatty acid methyl (C8 - C30) (Agilent Technologies) as external retention time standards, then retention index information was subsequently applied to all experimental for retention time alignment. MetaboliteDetector parameters for peak detection deconvolution are as follows: Peak threshold, 7; minimum peak height, 7; width, 8. Deconvoluted features were identified by matching to the Agilent Metabolomics Retention Time Locked Library, which contains mass spectral and indix information for approximately 700 metabolites. Each initial match to the was manually inspected to confirm a confident identification. The data were matched against the NIST 08 library to identify additional peaks not included the Fiehn library. MetaboliteDetector software was used for database matching batch identification/quantification parameters are as follows: required score, ?RI, 25; minimum S/N, 20; maximum peak discrepancy index, 100. Ions 73 and 143 excluded from use as metabolite quantification ions, since these are due to of the trimethylsilyl groups. Otherwise, three unique fragment ions were to each metabolite for quantification and used for each individual GC-MS when processing the data in batch mode. The summed areas of the three ions were exported from MetaboliteDetector and used in further statistical All identifications were manually validated by inspection of retention index spectrum matches.'), ('MS_COMMENTS', 'An Agilent GC 7890A coupled with a single quadrupole MSD 5975C (Agilent Inc.; Santa Clara, CA, USA) was used, and the samples were blocked and analyzed random order for each experiment. Data were collected over the mass range m/z. A mixture of FAMEs (C8-C28) was analyzed once per day together with the for retention index alignment purposes during subsequent data analysis. After converting raw data to netCDF format, the data were processed by the software for peak deconvolution and chromatographic alignment. Retention (RI) were calculated based on the analysis of a mixture of fatty acid methyl (C8 - C30) (Agilent Technologies) as external retention time standards, then retention index information was subsequently applied to all experimental for retention time alignment. MetaboliteDetector parameters for peak detection deconvolution are as follows: Peak threshold, 7; minimum peak height, 7; width, 8. Deconvoluted features were identified by matching to the Agilent Metabolomics Retention Time Locked Library, which contains mass spectral and indix information for approximately 700 metabolites. Each initial match to the was manually inspected to confirm a confident identification. The data were matched against the NIST 08 library to identify additional peaks not included the Fiehn library. MetaboliteDetector software was used for database matching batch identification/quantification parameters are as follows: required score, ?RI, 25; minimum S/N, 20; maximum peak discrepancy index, 100. Ions 73 and 143 excluded from use as metabolite quantification ions, since these are due to of the trimethylsilyl groups. Otherwise, three unique fragment ions were to each metabolite for quantification and used for each individual GC-MS when processing the data in batch mode. The summed areas of the three ions were exported from MetaboliteDetector and used in further statistical All identifications were manually validated by inspection of retention index spectrum matches.')}
'Metabolites' section of 'MS_METABOLITE_DATA' block do not match.