Spectrum and Signal Analysis
Pattern or compound identification; alignment and calibration of spectra and signals to peaks and other data sets
Functions
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 classifier performance |
crossvalind |
Generate indices for training and test sets |
Topics
- 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.