Fig. 1
From: Reproducible untargeted metabolomics workflow for exhaustive MS2 data acquisition of MS1 features
PMDDA workflow. Raw peaks are filtered by GlobalStd Algorithm to remove redundant peaks, then the remaining peaks are merged by cluster analysis to generate the precursor ion list. The selected peaks are assigned into multiple injections to collect the fragment ions for structure identification. The whole analysis can be found as a data process template in the ‘rmwf’ package. The complete data analysis is reproducible by xcmsrocker image