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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
metafeatures Attractor metagene algorithm for feature engineering using mutual information-based learning
rankfeatures Rank key features by class separability criteria
randfeatures Generate randomized subset of features
classperf Evaluate performance of classifier
crossvalind Generate cross-validation indices


Mass Spectrometry Data Analysis

The mass spectrometry functions preprocess and classify raw data from SELDI-TOF and MALDI-TOF spectrometers and use statistical learning functions to identify patterns.

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