| MSclassifR {MSclassifR} | R Documentation |
Automated classification of mass spectra
Description
This package provides R functions to classify mass spectra in known categories, and to determine discriminant mass-over-charge values. It was developed with the aim of identifying very similar species or phenotypes of bacteria from mass spectra obtained by Matrix Assisted Laser Desorption Ionisation - Time Of Flight Mass Spectrometry (MALDI-TOF MS). However, the different functions of this package can also be used to classify other categories associated to mass spectra; or from mass spectra obtained with other mass spectrometry techniques. 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.
Value
No return value. Package description.
Author(s)
Alexandre Godmer, Quentin Giai Gianetto