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MineXpert
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MineXpert (currently MineXpert3, of the http://www.msxpertsuite.org software collection) is a program
that allows one to perform the following tasks:
- Open mass spectrometry data files (mzML, mzXML, asc, xy, ...);
- Full-depth MS^n data exploration;
- Perform mouse-based deconvolution of isotopic clusters or of charge state envelopes;
- Calculate and display the TIC chromatogram and various color maps (see below);
- For mobility data, calculate and display a mz=f(dt) color map;
- Gather all mass data into a single table view for easy filtering of the data
according to a number of criteria; then, select the desirable data rows of
the table view and perfom any kind of integration;
- Integrate the data from any data type to any other data type:
- From TIC to:
- to mass spectrum;
- to drift spectrum;
- to various color maps:
- m/z vs drift time;
- m/z vs retention time;
- retention time vs drift time.
- From mass specturm to any other as above;
- From any to any.
- Perform single-point integrations for detailed mass spectral data scrutiny;
- A special integration mode does not produce any trace, spectrum or color map,
it will produce an intensity integration on the relevant data subset and yield
an intensity value. This hyper-specific feature is designed to perform the most
accurate mass data quantification comparisons between data sets.
- Export the data to text files;
- Save plot to graphics files (svg, pdf, png, jpg);
- Perform isotopic cluster simulations starting from a chemical composition formula;
- Perform peak shaping based on centroid value, intensity and mass spectrometer resolving power;
MineXpert is written in C++ and is portable, with binaries built for GNU/Linux
and MS Windows.
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