Isotope Pattern, Profile and Centroid Calculation for Mass Spectrometry

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. Loos, M., Gerber, C., Corona, F., Hollender, J., Singer, H. (2015) .


Reference manual

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install.packages("enviPat")

2.8 by Martin Loos, 9 months ago


https://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b00941


Report a bug at https://github.com/blosloos/enviPat/issues


Browse source code at https://github.com/cran/enviPat


Authors: Martin Loos [aut, cre] , Christian Gerber [aut]


Documentation:   PDF Manual  


GPL-2 license



Imported by InterpretMSSpectrum.


See at CRAN