Find Unique Peakgroups

For a set of peaks with similar m/z group peaks which have very similar rt and correlated abundances across samples.

find_unique_peakgroups(mz_set_data, peaks, rt_grouping_tol, group_corr_cutoff)

Arguments

mz_set_data

a tibble containing groupIds

peaks

a tibble containing all peaks in a mzrollDB

rt_grouping_tol

maximum departure between retention time of two groups to be consistent

group_corr_cutoff

minimum disagreement in terms of correlation between two groups to be consistent

Value

tibble of groupId and cluster integer