The ecipex Package


Efficient calculation of fine structure isotope patterns via Fourier transforms of simplex-based elemental models.


Package: ecipex
Type: Package
Version: 1.0
Date: 2014-08-04
License: GPL (>= 2)
LazyLoad: true

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.


Andreas Ipsen

Want to suggest features or report bugs for Use the GitHub issue tracker.

comments powered by Disqus