Analysis of untargeted MS-based metabolomics data: the metaMS package for R

摘要

Open-source software like metaMS provides ultimate control over data processing, which is of utmost importance when analysing data as complex as GCMS or LCMS data. In addition, the large user base of the underlying XCMS package guarantees rapid adaptation to new developments, timely bug reporting and on-line user feedback. MetaMS provides a top layer over XCMS, specifically geared to untargeted metabolomics.