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 = '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 142 downloads 2 mentions 1 exports 1 dependencies

Last updated 5 years agofrom:65afecf53c. Checks:2 OK, 1 NOTE. Indexed: yes.

TargetResultLatest binary
Doc / VignettesOKMar 28 2025
R-4.5-linuxNOTEMar 28 2025
R-4.4-linuxOKMar 28 2025

Exports:ecipex

Dependencies:CHNOSZ

Citation

To cite package ‘ecipex’ in publications use:

Ipsen A (2020). ecipex: Efficient Calculation of Fine Structure Isotope Patterns via Fourier Transforms of Simplex-Based Elemental Models. R package version 1.1, https://CRAN.R-project.org/package=ecipex.

ATTENTION: This citation information has been auto-generated from the package DESCRIPTION file and may need manual editing, see ‘help("citation")’.

Corresponding BibTeX entry: 

  @Manual{,
    title = {ecipex: Efficient Calculation of Fine Structure Isotope
      Patterns via Fourier Transforms of Simplex-Based Elemental
      Models},
    author = {Andreas Ipsen},
    year = {2020},
    note = {R package version 1.1},
    url = {https://CRAN.R-project.org/package=ecipex},
  }