Automated Classification of Mass Spectra


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Documentation for package ‘MSclassifR’ version 0.4.0

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calculate_distance Function calculating the distance between two vectors.
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
d_left_join Function joining two tables based not on exact matches
fast_find_neighbors Function finding k Nearest Neighbors for each row of a matrix
fast_generate_synthetic Function generating synthetic examples using SMOTE
LogReg Estimation of a multinomial 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
PredictFastClass Prediction of the category to which a mass spectrum belongs using linear regressions of mass spectra.
PredictLogReg 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).
SelectionVarStat Variable selection using multiple statistical tests.
SignalProcessing Function performing post acquisition signal processing
smote_classif SMOTE for Classification Problems