Package: ecipex 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

ecipex_1.1.tar.gz
ecipex_1.1.tar.gz(r-4.5-noble)ecipex_1.1.tar.gz(r-4.4-noble)
ecipex_1.1.tgz(r-4.4-emscripten)ecipex_1.1.tgz(r-4.3-emscripten)
ecipex.pdf |ecipex.html
ecipex/json (API)

# Install 'ecipex' in R:
install.packages('ecipex', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org'))

Peer review:

Datasets:
  • nistiso - Masses, isotope patterns and nucleon numbers of the elements

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 154 downloads 2 mentions 1 exports 1 dependencies

Last updated 5 years agofrom:65afecf53c. Checks:OK: 1 NOTE: 1. Indexed: yes.

TargetResultDate
Doc / VignettesOKNov 28 2024
R-4.5-linuxNOTENov 28 2024

Exports:ecipex

Dependencies:CHNOSZ