enviPat (2.1)

Isotope Pattern, Profile and Centroid Calculation for Mass Spectrometry.

http://www.envipat.eawag.ch/
http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b00941
http://cran.r-project.org/web/packages/enviPat

Fast and very memory-efficient calculation of isotope patterns, subsequent convolution to theoretical envelopes (profiles) plus valley detection and centroidization or intensoid calculation. Batch processing, resolution interpolation, wrapper, adduct calculations and molecular formula parsing.

Maintainer: Martin Loos
Author(s): Martin Loos, Christian Gerber

License: GPL-2

Uses: Does not use any package

Released about 3 years ago.