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Extracting MS level > 1 chromatogram #246

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jorainer opened this issue Aug 16, 2017 · 4 comments
Closed

Extracting MS level > 1 chromatogram #246

jorainer opened this issue Aug 16, 2017 · 4 comments

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@jorainer
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chromatogram,MSnExp does not allow to extract Chromatograms for MS level > 1 yet. I didn't anticipate that this will be needed, but with SWATH data it is (see sneumann/xcms#205).
The required code is ready in .extractMultipleChromatograms but I didn't add the msLevel argument to chromatograms,MSnExp (yet).
@lgatto: OK if I add that and push to master?

@lgatto
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lgatto commented Aug 16, 2017

Yes, of course. Will msLevel be limited to a single level (a numeric of length 1) or will it support multiple levels?

@jorainer
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good point - as of now it supports length > 1. But I'm not sure whether that's clever. Never done anything with MS level > 1. What do you think? restrict to single level?

@lgatto
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lgatto commented Aug 16, 2017

I can't think of a use case with more than on level, but I don't think that's a reason to restrict it to one level. Maybe it's good to support it, as long as it's easy to get the levels back from an Chromatograms object.

@jorainer
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OK, so I'll have to add a slot msLevel to the Chromatogram class. That will then be an integer of length > 0.

jorainer added a commit that referenced this issue Aug 16, 2017
- Add msLevel slot to Chromatogram class.
- Add msLevel argument to chromatogram,MSnExp (issue #246).
- Update documentation and add unit tests.
@jorainer jorainer closed this as completed Sep 5, 2017
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