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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 dataset comprising the masses and isotopic abundances of individual elements is also provided.
Package details 


Author  Andreas Ipsen 
Maintainer  Andreas Ipsen <[email protected]> 
License  GPL (>= 2) 
Version  1.0 
Package repository  View on CRAN 
Installation 
Install the latest version of this package by entering the following in R:

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