tkimhofer/msbrowser: Viz tool for xcms peak picking parameter optimisation

A user-friendly browser application for fast and easy xcms parameter testing, designed to optimise peak picking for GC-MS and LC-MS experiments. The application outputs experiment summary statistics such as total/extracted ion chromatograms and enables the user to gain insight into the data structure and the effects different xcms parameter sets have on peak picking performance. Resulting LC/GC feature list and plots can be used evaluatwhich parameters work best for the respective spectral data. MSbrowser runs on a macOS, Windows and Linux.

install.packages("remotes")
remotes::install_github("tkimhofer/msbrowser")