calculate_abundances: Calculate isotope fractional abundances

Description Usage Arguments Value See Also

View source: R/calculations.R

Description

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.

Usage

1
calculate_abundances(data, ..., name_fun = default_name, quiet = FALSE)

Arguments

data

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), ...

name_fun

the naming function, receives ... from the top level, default concatenates 'F' + minor ion name

quiet

whether the function should output information messages or be quiet (default is to output)

Value

the original data frame with the fractional abundance information appended (all fractional abundances are in % and have data_type == "abundance")

See Also

Other calculations: calculate_ratios(), calculate_sums(), calculate()


lans2r documentation built on July 1, 2020, 7:41 p.m.