ecipex-package: Efficient Calculation of Fine Structure Isotope Patterns via...
In ecipex: Efficient Calculation of Fine Structure Isotope Patterns via Fourier Transforms of Simplex-Based Elemental Models
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 and calculation of isotopic gross structures
is also supported.
Details
Package: ecipex
Type:
Package
Version: 1.1
Date: 2020-03-12
License: GPL (>= 2)
LazyLoad: true
Author(s)
Andreas Ipsen
ecipex documentation built on March 26, 2020, 7:17 p.m.
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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 and calculation of isotopic gross structures is also supported.
Details
| Package: | ecipex |
| Type: | Package |
| Version: | 1.1 |
| Date: | 2020-03-12 |
| License: | GPL (>= 2) |
| LazyLoad: | true |
Author(s)
Andreas Ipsen
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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