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 and calculation of isotopic gross structures is also supported.
Versions across snapshots
| Version | Repository | File | Size |
|---|---|---|---|
1.1.1 |
rolling source/ R- | ecipex_1.1.1.tar.gz |
12.9 KiB |
1.1.1 |
latest source/ R- | ecipex_1.1.1.tar.gz |
12.9 KiB |
1.1.1 |
2026-04-09 windows/windows R-4.5 | ecipex_1.1.1.zip |
42.2 KiB |