minexpert2 - 9.6.0-1 main

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).
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This package ships the mineXpert2 program.