Find Common Coelutions

Among a set of coeluting peaks, identify common mass differences as an indication of adducts or isotopologues

find_common_coelutions(adduct_path, coelution_n_cutoff = 0L)

Arguments

adduct_path

A file containing a set of pairs of EICs (across scan_window_length scans) with correlated intensities across scans.

coelution_n_cutoff

Minimum membership size of a cluster of mass differences to retain.

Details

This function reads in an adduct file which contains candidate coelutions for a sample. These are generated using mzDeltas.cpp.