massXpert mass spectrometry package is a mass spectrometry environment for linear (bio-) polymers. It inherits all the innovations of GNU polyxmass, as it is a port of that project to a cross-platform development environment.
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What's New in This Release: [ read full changelog ]
· Improvements in the XpertMiner module that make working with lists easier;
· Fixed calculation bug which appeared when computing the isotopic cluster of a large polymer with low resolution... the peak shape would not be centered in the average centroid value.
· Added a full spectrum simulation feature that allows one to compute a spectrum (optionally with all the isotopic clusters) on the basis of a list of oligomers obtained by cleavage of a given polymer;
· Same as above but after computing a set of m/z ratios starting from a chemical formula;
· Updated the user manual to document a number of new features since last update.
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