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.
| Version: |
1.0 |
| Imports: |
CHNOSZ |
| Published: |
2014-08-09 |
| Author: |
Andreas Ipsen |
| Maintainer: |
Andreas Ipsen <a.ipsen at swansea.ac.uk> |
| License: |
GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| NeedsCompilation: |
no |
| CRAN checks: |
ecipex results |
Downloads: