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:
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')) |
- 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.
Last updated 5 years agofrom:65afecf53c. Checks:OK: 1 NOTE: 1. Indexed: yes.
| Target | Result | Date |
|---|---|---|
| Doc / Vignettes | OK | Aug 30 2024 |
| R-4.5-linux | NOTE | Aug 30 2024 |
Exports:ecipex
Dependencies:CHNOSZ
