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ecipex  

Efficient Calculation of Fine Structure Isotope Patterns via Fourier Transforms of Simplex-Based Elemental Models
View on CRAN: Click here


Download and install ecipex package within the R console
Install from CRAN:
install.packages("ecipex")

Install from Github:
library("remotes")
install_github("cran/ecipex")

Install by package version:
library("remotes")
install_version("ecipex", "1.1")



Attach the package and use:
library("ecipex")
Maintained by
Andreas Ipsen
[Scholar Profile | Author Map]
First Published: 2014-08-09
Latest Update: 2020-03-13
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.
How to cite:
Andreas Ipsen (2014). ecipex: Efficient Calculation of Fine Structure Isotope Patterns via Fourier Transforms of Simplex-Based Elemental Models. R package version 1.1, https://cran.r-project.org/web/packages/ecipex. Accessed 04 Apr. 2025.
Previous versions and publish date:
1.0 (2014-08-09 00:32)
Other packages that cited ecipex R package
View ecipex citation profile
Other R packages that ecipex depends, imports, suggests or enhances
Complete documentation for ecipex
Functions, R codes and Examples using the ecipex R package
Some associated functions: ecipex-package . ecipex . nistiso . 
Some associated R codes: ecipex.R .  Full ecipex package functions and examples
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