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enviPat: 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) <doi:10.1021/acs.analchem.5b00941>.
Getting started
Browse package contents
Package details |
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| Author | Martin Loos, Christian Gerber |
| Maintainer | Martin Loos <mloos@envibee.ch> |
| License | GPL-2 |
| Version | 2.6 |
| URL | https://www.envipat.eawag.ch/ https://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b00941 |
| Package repository | View on CRAN |
| Installation |
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