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>.
Package details |
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Author | Martin Loos, Christian Gerber |
Maintainer | Martin Loos <mloos@envibee.ch> |
License | GPL-2 |
Version | 2.7 |
URL | https://www.envipat.eawag.ch/ https://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b00941 |
Package repository | View on GitHub |
Installation |
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