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.
https://anaconda.org/r/r-ecipex/badges/version.svg
https://anaconda.org/r/r-ecipex/badges/latest_release_date.svg
https://anaconda.org/r/r-ecipex/badges/latest_release_relative_date.svg
https://anaconda.org/r/r-ecipex/badges/platforms.svg
https://anaconda.org/r/r-ecipex/badges/license.svg
https://anaconda.org/r/r-ecipex/badges/downloads.svg