Comparison Log
2024-12-01 01:16:23.208145
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN000137/mwtab/...
Study ID:    ST000085
Analysis ID: AN000137
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 index information for approximately 700 metabolites. Each initial match to the was manually inspected to confirm a confident identification. software was used for database matching and batch identification/quantification are as follows: required score, 0.6; ?RI, 25; minimum S/N, 20; maximum peak index, 100. Ions 73 and 143 were excluded from use as metabolite quantification since these are due to fragmentation of the trimethylsilyl groups. Otherwise, unique fragment ions were assigned to each metabolite for quantification and for each individual GC-MS analysis when processing the data in batch mode. The areas of the three quantification ions were exported from MetaboliteDetector used in further statistical anayses. All identifications were manually by inspection of retention index and 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 index information for approximately 700 metabolites. Each initial match to the was manually inspected to confirm a confident identification. software was used for database matching and batch identification/quantification are as follows: required score, 0.6; ?RI, 25; minimum S/N, 20; maximum peak index, 100. Ions 73 and 143 were excluded from use as metabolite quantification since these are due to fragmentation of the trimethylsilyl groups. Otherwise, unique fragment ions were assigned to each metabolite for quantification and for each individual GC-MS analysis when processing the data in batch mode. The areas of the three quantification ions were exported from MetaboliteDetector used in further statistical anayses. All identifications were manually by inspection of retention index and spectrum matches.')}