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pymzml / pymzML

pymzML - an interface between Python and mzML Mass spectrometry Files
https://pymzml.readthedocs.io/en/latest/
MIT License
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How to export or extract PDA spectra #289

Closed ZewSam closed 2 years ago

ZewSam commented 2 years ago

Hello, I am not sure how to extract PDA spectra from mzML file with pymzml. I set spec.ms.level = 0 or None, but neither of them worked. Can anyone provide an example script? Thank you.

MKoesters commented 2 years ago

Hey @ZewSam,

Since I never worked with PDA spectra, would you be able to supply a example mzML?

Best, Manuel

ZewSam commented 2 years ago

Thanks @MKoesters, I am just wondering how I should share the example mzML file with you?

MKoesters commented 2 years ago

You could either upload it at a sharing service of your choice (if you need with a password which you can share with me via mail). Or you could copy and paste one of the PDA spectra elements (the ones starting with <spectrum ..>) from your mzML directly into this issue. I'll have a quick look online and in case I find one, I can also try to fix your issue with that, however if the issue is the way your mzML is written, this maybe not that useful

ZewSam commented 2 years ago

Thanks @MKoesters. Would you please provide your email address so I can send the example file? Thanks again.

MKoesters commented 2 years ago

Hi @ZewSam,

My email is: manuel.koesters@unibe.ch