exportmzML: exportmzML

In RogerGinBer/RHermes: Improving metabolome characterization using molecular formula databases

exportmzML

Description

Exports the superspectra of a given MS2Exp ID into an mzML format file. Warning! The retention time information is not included in the mzML file.

Usage

exportmzML(struct, id, fname, whichSpec = NA, collisionEnergy = 35)

Arguments

struct	RHermesExp object
id	Index of the MS2Exp that you want to export
fname	Name of the output file, without the .mzML termination
whichSpec	Which entries to export. Defaults to all of them.
collisionEnergy	Numeric. Desired collision energy (in other unit)

Value

An .mzML file

Author(s)

Jordi Capellades

See Also

Other Exports: exportMGF(), exportMSP(), exportSIRIUS()

Examples

  if(FALSE){
       exportmzML(struct, 1, "output")
   }

RogerGinBer/RHermes documentation built on April 5, 2025, 10:16 a.m.