cmp_mz_filter: Compound list filter

Description Usage Arguments Value

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

1
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/PeakBro documentation built on May 29, 2019, 9:49 a.m.