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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>.
| Version: | 2.6 |
| Published: | 2022-10-21 |
| DOI: | 10.32614/CRAN.package.enviPat |
| Author: | Martin Loos, Christian Gerber |
| Maintainer: | Martin Loos <mloos at envibee.ch> |
| BugReports: | https://github.com/blosloos/enviPat/issues |
| License: | GPL-2 |
| URL: | https://www.envipat.eawag.ch/, https://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b00941 |
| NeedsCompilation: | yes |
| Citation: | enviPat citation info |
| In views: | ChemPhys |
| CRAN checks: | enviPat results |
| Reference manual: | enviPat.pdf |
| Package source: | enviPat_2.6.tar.gz |
| Windows binaries: | r-devel: enviPat_2.6.zip, r-release: enviPat_2.6.zip, r-oldrel: enviPat_2.6.zip |
| macOS binaries: | r-release (arm64): enviPat_2.6.tgz, r-oldrel (arm64): enviPat_2.6.tgz, r-release (x86_64): enviPat_2.6.tgz, r-oldrel (x86_64): enviPat_2.6.tgz |
| Old sources: | enviPat archive |
| Reverse imports: | InterpretMSSpectrum, ptairMS, RMassBank |
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