Comparison Log
2025-11-02 08:40:13.730079
mwtab Python Library Version: 1.2.5
Source:      https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN007087/mwtab/...
Study ID:    ST004259
Analysis ID: AN007087
Status:      Inconsistent

Sections "MS" contain missmatched items: {('MS_COMMENTS', "The raw data files generated by UHPLC-MS/MS were processed using the Compound Discoverer 3.1 (CD3.1, ThermoFisher) to perform peak alignment, peak picking, and quantitation for each metabolite. The main parameters were set as follows: retention time tolerance, 0.2 minutes; actual mass tolerance, 5ppm; signal intensity tolerance, 30%; signal/noise ratio, 3; and minimum intensity, et al. After that, peak intensities were normalized to the total spectral intensity. The normalized data was used to predict the molecular formula based on additive ions, molecular ion peaks and fragment ions. And then peaks were matched with the mzCloud(https://www.mzcloud.org/)，mzVault and Mass List database to obtain the accurate qualitative and relative quantitative results. Statistical analyses were performed using the statistical software R (R version R-3.4.3), Python (Python 2.7.6 version) and CentOS (CentOS release 6.6), When data were not normally distributed, standardize according to the formula: sample raw quantitation value / (The sum of sample metabolite quantitation value / The sum of QC1 sample metabolite quantitation value)to obtain relative peak areas; And compounds whose CVs of relative peak areas in QC samples were greater than 30% were removed, and finally the metabolites' identification and relative quantification results were obtained."), ('MS_COMMENTS', "The raw data files generated by UHPLC-MS/MS were processed using the Compound Discoverer 3.1 (CD3.1, ThermoFisher) to perform peak alignment, peak picking, and quantitation for each metabolite. The main parameters were set as follows: retention time tolerance, 0.2 minutes; actual mass tolerance, 5ppm; signal intensity tolerance, 30%; signal/noise ratio, 3; and minimum intensity, et al. After that, peak intensities were normalized to the total spectral intensity. The normalized data was used to predict the molecular formula based on additive ions, molecular ion peaks and fragment ions. And then peaks were matched with the mzCloud(https://www.mzcloud.org/)，mzVault and Mass List database to obtain the accurate qualitative and relative quantitative results. Statistical analyses were performed using the statistical software R (R version R-3.4.3), Python (Python 2.7.6 version) and CentOS (CentOS release 6.6), When data were not normally distributed, standardize according to the formula: sample raw quantitation value / (The sum of sample metabolite quantitation value / The sum of QC1 sample metabolite quantitation value)to obtain relative peak areas; And compounds whose CVs of relative peak areas in QC samples were greater than 30% were removed, and finally the metabolites'' identification and relative quantification results were obtained.")}
Unable to find '_DATA' block in given files.