Generate Coelution Peaks

Using a set of coelutions between pairs of mzs aggregate these mzs acrosss all of the coelutions that they are involved in to create a summary of peak locations [mz, scans]

generate_coelution_peaks(sample_coelutions, MS1tol)

Arguments

sample_coelutions

A list generated by find_common_coelutions and possibly reduced using apply_coelution_labels.

MS1tol

from build_clamr_config or format_mass_accuracy_input

Value

A list containing:

• binned_sample_coelutions: coelutions between unique coeluting peaks

• unique_coeluting_peaks: unique mz-scan groups for a given sample