createGnpsFiles: Reformat .gda and MS2 spectra for GNPS FBMN

Description Usage Arguments Value Author(s)

View source: R/utils_gnps.R

Description

createGnpsFiles reformats the Gendata data matrix and spectra to be consistent with the requirement of GNPS FBMN. The resulting data can be fed into the XCMS3 workflow.

Usage

1
createGnpsFiles(x, spectra)

Arguments

x

list List with data read from .gda file containing grouped MS1 cluster

spectra

SpectraMSnbase Spectra object containing MS2 spectra to be matched with the MS1 data

Value

A list with the reformated feature table in XCMS3 format as first element and a reformated Spectra as second element.

Author(s)

Michael Witting


michaelwitting/genedataRutils documentation built on April 30, 2021, 5:11 p.m.