pmdanno: Perform MS/MS pmd annotation for mgf file

In pmd: Paired Mass Distance Analysis for GC/LC-MS Based Non-Targeted Analysis and Reactomics Analysis

Description

Perform MS/MS pmd annotation for mgf file

Usage

pmdanno(file, db = NULL, ppm = 10, prems = 1.1, pmdc = 0.6, scutoff = 0.1)

Arguments

file	mgf file generated from MS/MS data
db	database could be list object from 'getms2pmd'
ppm	mass accuracy, default 10
prems	precersor mass range, default 1.1 to include M+H or M-H
pmdc	pmd length percentage cutoff for annotation. 0.6(default) means 60 percentage of the pmds in your sample could be found in certain compound pmd database
scutoff	relative intensity cutoff for input spectra for pmd analysis, default 0.1

Value

list with MSMS annotation results

pmd documentation built on Jan. 22, 2021, 1:06 a.m.