Recently, I updated the GlobalStd algorithm in the pmd package. The new version includes several improvements and bug fixes. Here are the details:

  • getpaired function was re-written to improve the detection of redundant peaks. The paired mass distances (PMDs) are calculated for each retention time clusters. Then redundant peaks will be found in each cluster. For isotopougue pairs, the new version can detect them using network clusters of isotopologues and the lowest mass peak is retained for the following analysis. I also added a feature to detect multiple charged …