writeSiriusFile: Importing Genedata Expressionist for MS .gda files

In michaelwitting/genedataRutils: Collection of utility functions to work with .gda files in R

Description

writeSiriusFile Genedata does not allow to export MS1 isotope pattern directly. They have to be reconstructed from the Peak and Cluster data

Usage

writeSiriusFile(
  ms1_spectra = Spectra(),
  ms2_spectra = Spectra(),
  folder = ".",
  singleFile = FALSE
)

Arguments

ms2_spectra	Spectra <code>Spectra</code> containing MS2 data
folder	character path to folder where .ms files shall be stored
singleFile	boolean Indicates if a single file shall be generated, default is FALSE
ms1_spectrum	Spectra <code>Spectra</code> containing isotope pattern

Author(s)

Michael Witting

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