MSclassifR

Functions to classify mass spectra in known categories, and to determine discriminant mass-over-charge values. It includes easy-to-use functions for pre-processing mass spectra, functions to determine discriminant mass-over-charge values (m/z) from a library of mass spectra corresponding to different categories, and functions to predict the category (species, phenotypes, etc.) associated to a mass spectrum from a list of selected mass-over-charge values. Three vignettes illustrating how to use the functions of this package from real data sets are also available online to help users: https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_Ecrobiav3.html, https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_Klebsiellav3.html and https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_DAv3.html.

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