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.

Reading raw data — Load raw mass/charge and ion intensity data from comma-separated-value (CSV) files, or read a JCAMP-DX-formatted file with mass spectrometry data (jcampread) into the MATLAB^® environment.

You can also have data in TXT files and use the importdata function.

Preprocessing raw data — Resample high-resolution data to a lower resolution (msresample) where the extra data points are not needed. Correct the baseline (msbackadj). Align a spectrum to a set of reference masses (msalign) and visually verify the alignment (msheatmap). Normalize the area between spectra for comparing (msnorm), and filter out noise (mslowess and mssgolay).

Spectrum analysis — Load spectra into a GUI (msviewer) for selecting mass peaks and further analysis.

The following graphic illustrates the roles of the various mass spectrometry functions in the toolbox.