Package: wnpp Severity: wishlist Subject: ITP: r-cran-isospecr -- GNU R IsoSpec Algorithm Package: wnpp Owner: Dylan Aïssi <dai...@debian.org> Severity: wishlist
* Package name : r-cran-isospecr Version : 2.1.2 Upstream Author : Mateusz Krzysztof Lacki and Michal Startek * URL : https://cran.r-project.org/package=IsoSpecR * License : BSD-2-clause Programming Lang: GNU R Description : GNU R IsoSpec Algorithm IsoSpec is a fine structure calculator used for obtaining the most probable masses of a chemical compound given the frequencies of the composing isotopes and their masses. It finds the smallest set of isotopologues with a given probability. The probability is assumed to be that of the product of multinomial distributions, each corresponding to one particular element and parametrized by the frequencies of finding these elements in nature. These numbers are supplied by IUPAC - the International Union of Pure and Applied Chemistry. Remark: This package is maintained by Debian R Packages Maintainers at https://salsa.debian.org/r-pkg-team/r-cran-isospecr