getMF.sirius: Interface to Sirius

Description Usage Arguments Value

Description

Interface to Sirus

Usage

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getMF.sirius(precmz = NULL, ms1spec = NULL, ms2spec = NULL,
  ionProd = "[M+H]1+", ppmPrecMF = 11, maxMF = NA, limint = 10^-5,
  listmf = c(), retAnn = FALSE,
  exec = "/media/D01/Metabo/MetSoft/sirius3.4.1/bin/sirius3",
  tempdir = "./", basenam = paste0("tmp", round(runif(1) * 1000)),
  clean = TRUE)

Arguments

precmz

Precursor M/Z

ms1spec

MS1 spectra

ms2spec

MS/MS spectra

ionProd

Ionisation product

ppmPrecMF

ppmPrecMF

maxMF

Maximum number of MF to be returned

limint

Minimum intensity perc.

listmf

Annotation of a single list of mol formula

retAnn

Add annotation in the original MS/MS

exec

Sirius executable

tempdir

Directory containing the output

basenam

result file name

clean

clean-up the mess

Value

List of stuff


tonedivad/metaboGoS documentation built on May 31, 2019, 6:21 p.m.