Automated Classification of Mass Spectra

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Documentation for package ‘MSclassifR’ version 0.2.0

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CitrobacterRKImetadata Metadata of mass spectra corresponding to the bacterial species _Citrobacter_ sp. from The Robert Koch-Institute (RKI) database of microbial MALDI-TOF mass spectra
CitrobacterRKIspectra Mass spectra corresponding to the bacterial species _Citrobacter_ sp. from The Robert Koch-Institute (RKI) database of microbial MALDI-TOF mass spectra
LogReg Estimation of a multinomial logistic regression to predict the category to which a mass spectrum belongs
MSclassifR Automated classification of mass spectra
PeakDetection Detection of peaks in 'MassSpectrum' objects.
PlotSpectra Plot mass spectra with detected peaks
Predict_LogReg Prediction of the category to which a mass spectrum belongs from a multinomial logistic regression model
SelectionVar Variable selection using random forests, logistic regression methods or sparse partial least squares discriminant analysis (sPLS-DA).
SignalProcessing Function performing post acquisition signal processing