merge.spectra.group: Merge MS2 fragment ions

View source: R/helper_functions.R

merge.spectra.groupR Documentation

Merge MS2 fragment ions

Description

This function accepts a list of MS2s and cluster the corresponding ions based on user defined boundaries.

Usage

## S3 method for class 'spectra.group'
merge(spectra, eppm, eabs, int.threshold)

Arguments

spectra

A list of MS2s

eppm

ppm differences betweem MS2 ions

eabs

Absolute mass deviation between MS2 ions

int.threshold

The peaks not reaching this intensity will be removed

Value

A list of merged MS2s similar format as input


metaboraid/metaboraid documentation built on Jan. 29, 2023, 1:41 a.m.