Package: ecipex
Type: Package
Title: Efficient calculation of fine structure isotope patterns via
        Fourier transforms of simplex-based elemental models
Author: Andreas Ipsen
Maintainer: Andreas Ipsen <a.ipsen@swansea.ac.uk>
Imports: CHNOSZ
Description: 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.
License: GPL (>= 2)
Repository: CRAN
LazyData: true
Version: 1.0
Date: 2014-08-04
Packaged: 2014-08-08 21:48:51 UTC; Andreas
NeedsCompilation: no
Date/Publication: 2014-08-09 00:32:17
