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rformassspectrometry / Spectra

Low level infrastructure to handle MS spectra
https://rformassspectrometry.github.io/Spectra/
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Export the mzXML? #151

Closed lgatto closed 3 years ago

lgatto commented 3 years ago

The documentation says

  • MsBackendMzR (Spectra package): export data in mzML and mzXML

although I was under the impression only mzML was supported in effect, even though mzXML is supported by pwiz.

  1. Can mzR et thus Spectra export to mzXML?
  2. If so, how?
jorainer commented 3 years ago

Sure, mzR can write mzXML files too. To export a Spectra in mzXML format:

export(sps, backend = MsBackendMzR(), file = "outfile.mzXML", format = "mzXML")
lgatto commented 3 years ago

Thank you!