In jaspershen/metID: Metabolite identification based on MS1 and MS2 spectra

knitr::opts_chunk$set(
  collapse = TRUE,
  comment = "#>",
  out.width = "100%"
)

There are also a lot of useful tools in metID.

library(metID)
library(tidyverse)

Read MS2 data

Read msp format file using readMGF

result <- readMGF(file)

Read mzXML format file using readMZXML

result <- readMZXML(file, threads = 3)

Read MGF format file using readMGF

result <- readMGF(file)

Show metID version and logo

metID::metID()

jaspershen/metID documentation built on July 31, 2022, 11:31 p.m.