massXpert mass spectrometry package 3.2.0
A mass spectrometry environment for linear (bio-) polymers.
massXpert mass spectrometry package
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What's New in version 3.1.0
- 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;