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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.
| Version: | 1.1 |
| Imports: | CHNOSZ |
| Published: | 2020-03-13 |
| DOI: | 10.32614/CRAN.package.ecipex |
| Author: | Andreas Ipsen |
| Maintainer: | Andreas Ipsen <andreas.b.ipsen at gmail.com> |
| License: | GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| NeedsCompilation: | no |
| CRAN checks: | ecipex results |
| Reference manual: | ecipex.pdf |
| Package source: | ecipex_1.1.tar.gz |
| Windows binaries: | r-devel: ecipex_1.1.zip, r-release: ecipex_1.1.zip, r-oldrel: ecipex_1.1.zip |
| macOS binaries: | r-release (arm64): ecipex_1.1.tgz, r-oldrel (arm64): ecipex_1.1.tgz, r-release (x86_64): ecipex_1.1.tgz, r-oldrel (x86_64): ecipex_1.1.tgz |
| Old sources: | ecipex archive |
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