exportMzMl,MassSpectrum-method {MALDIquantForeign}

Export to mzML files

Description

This function exports MassSpectrum-class objects into mzML files.

Usage

## S4 method for signature 'MassSpectrum'
exportMzMl(x, file, force=FALSE, ...)

## S4 method for signature 'list'
exportMzMl(x, path, force=FALSE, ...)

Arguments

x

a AbstractMassObject-class object or a list of AbstractMassObject-class objects.

file

character, file name.

force

logical, If TRUE the file would be overwritten or path would be created.

path

character, path to directory in which the list of MassSpectrum-class would be exported. If path is a single filename all spectra will be exported to a single mzML file.

...

arguments to be passed to internal functions.

Author(s)

Sebastian Gibb

References

https://strimmerlab.github.io/software/maldiquant/,
HUPO Proteomics Standards Inititative mzML 1.1.0 Specification: https://www.psidev.info/mzML

See Also

MassSpectrum-class

Examples

## Not run: 
library("MALDIquant")
library("MALDIquantForeign")

s <- list(createMassSpectrum(mass=1:5, intensity=1:5),
          createMassSpectrum(mass=1:5, intensity=1:5))

## export a single spectrum
exportMzMl(s[[1]], file="spectrum.mzML")

## export a list of spectra
exportMzMl(s, path="spectra.mzML")

## End(Not run)