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.
|Maintainer||Andreas Ipsen <firstname.lastname@example.org>|
|License||GPL (>= 2)|
|Package repository||View on CRAN|
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