MS^n mass spectrometric data visualization and mining (runtime)


mineXpert2 allows the user to perform the following tasks:
 - Open mass spectrometry data files (mzML, mzXML, asc, xy, ...);
 - Display in a table view the full data set, for easy filtering;
 - Calculate and display the TIC chromatogram;
 - Calculate and display a mz=f(rt) color map;
 - For mobility data, calculate and display a mz=f(dt) color map;
 - Integrate the mass spectrometric data from any kind of data
   representation (mass | drift spectra, TIC | XIC chromatogram,
   2D color maps) to any other kind of data representation;
 - For any mass data feature (mass peak, TIC | XIC peak, color map)
   integrate to a XIC single intensity value;
 - Powerful isotopic cluster calculation starting from a
   chemical formula, optionally with user-defined isotopic abundance ratios;
 - Gaussian fit over any isotopic cluster to estimate the
   average mass of a given ion;
 - Mouse-driven deconvolution of m/z data (charge envelope-based
   or isotopic cluster-based);
 - Export the data to text files;
 - Export the graphical representation of mass spectrometric
   data to graphics files in a number of formats (jpg, png, pdf).

This package ships the mineXpert2 program.

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