Package: ecipex 1.1.1

Andreas Ipsen

ecipex: Efficient Calculation of Fine Structure Isotope Patterns via Fourier Transforms of Simplex-Based Elemental Models

Provides a function that quickly computes the fine structure isotope patterns of a set of chemical formulas to a given degree of accuracy (up to the limit set by errors in floating point arithmetic). A data-set comprising the masses and isotopic abundances of individual elements is also provided and calculation of isotopic gross structures is also supported.

Authors:Andreas Ipsen [aut, cre]

ecipex_1.1.1.tar.gz
ecipex_1.1.1.zip(r-4.7-any)ecipex_1.1.1.zip(r-4.6-any)
ecipex_1.1.1.tar.gz(r-4.7-any)ecipex_1.1.1.tar.gz(r-4.6-any)
ecipex_1.1.1.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION
card.svg |card.png
ecipex/json (API)

# Install 'ecipex' in R:
install.packages('ecipex', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org'))
Datasets:
  • nistiso - Masses, isotope patterns and nucleon numbers of the elements

On CRAN:

Conda:

This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.

1.30 score 1 stars 1 scripts 282 downloads 2 mentions 1 exports 1 dependencies

Last updated from:a84684bd61. Checks:6 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-develOK110
source / vignettesOK164
linux-releaseOK182
windows-develOK62
windows-releaseOK62
wasm-releaseOK105

Exports:ecipex

Dependencies:CHNOSZ