cmp_mz_filter: Compound list filter

In stanstrup/PeakABro: PeakABro

Description

This function filters a compound list based on mz value. It is meant to be used to annotate a peaklist by running through (with map) each mz in the peaklist and adding a nested table of hits to the peaklist.

Usage

cmp_mz_filter(mz, ref_tbl, mz_col = "mz", ppm = 30)

Arguments

mz	Query mz to filter by
ref_tbl	A tibble with compound mz values. Can be generated with expand_adducts.
mz_col	Character string. Column name of the column containing the mz values.
ppm	Maximum ppm value between query mass and database mz.

Value

A tibble containing the same columns as the input table but having add a ppm column for the deviation between compound mz and query mass.

stanstrup/PeakABro documentation built on May 29, 2019, 9:49 a.m.