Apply Coelution Labels

apply_coelution_labels(coelutions, coelution_labels)

Arguments

coelutions

A list containing coelutions and coelution_mz_diffs of the coelution class produced by find_common_coelutions

coelution_labels

a data_frame containing:

  • mz_set

  • mz_subset

  • library_formula - a formula label

  • library_is_loss - TRUE/FALSE - whether the coelution difference is due to a gain or loss of the monoisotopic / non-adduct form

  • library_type - label to apply to the connections - valid labels are "adduct", "isotopologue" or "distinct compound"

Value

a coelution object with labelled mz differences (added variables: library_formula, library_is_loss, library_type)