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Spectrum and Signal Analysis

Pattern or compound identification; alignment and calibration of spectra and signals to peaks and other data sets


mspeaks Convert raw peak data to peak list (centroided data)
mspalign Align mass spectra from multiple peak lists from LC/MS or GC/MS data set
msalign Align peaks in signal to reference peaks
samplealign Align two data sets containing sequential observations by introducing gaps
isotopicdist Calculate high-resolution isotope mass distribution and density function
msheatmap Create pseudocolor image of set of mass spectra
msdotplot Plot set of peak lists from LC/MS or GC/MS data set
msviewer Explore mass spectrum or set of mass spectra
traceplot Draw nucleotide trace plots
rankfeatures Rank key features by class separability criteria
randfeatures Generate randomized subset of features
knnclassify Classify data using nearest neighbor method
classperf Evaluate performance of classifier
crossvalind Generate cross-validation indices
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