This function calculates the isotope abundances (in %!) and resulting counting statistics error from the raw ion counts. It can be applied to data from both LANS_summary and LANS_maps loading but can be slow if LANS_maps is combined from many analyses.
calculate_abundances(data, ..., name_fun = default_name, quiet = FALSE)
the original data frame with the fractional abundance information appended (all fractional abundances are in % and have data_type == "abundance")
a data frame with raw ion counts retrieved from load_LANS_summary
the fractional abundances to calculate, each entry is for one fractional abundance with major isotope first, then
minor isotope, e.g. c(13C
, 12C
), c(15N12C
, 14C12C
), ...
the naming function, receives ... from the top level, default concatenates 'F' + minor ion name
whether the function should output information messages or be quiet (default is to output)
Other calculations:
calculate_ratios()
,
calculate_sums()
,
calculate()