ecipex: Efficient calculation of fine structure isotope patterns via Fourier transforms of simplex-based elemental models
Version 1.0

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.

Package details

AuthorAndreas Ipsen
Date of publication2014-08-09 00:32:17
MaintainerAndreas Ipsen <a.ipsen@swansea.ac.uk>
LicenseGPL (>= 2)
Version1.0
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("ecipex")

Try the ecipex package in your browser

Any scripts or data that you put into this service are public.

ecipex documentation built on May 29, 2017, 3:25 p.m.