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.

Featured Examples

Genetic Algorithm Search for Features in Mass Spectrometry Data

Use the Global Optimization Toolbox with the Bioinformatics Toolbox™ to optimize the search for features to classify mass spectrometry (SELDI) data.

Open Script

Bioinformatics Toolbox Documentation

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