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rformassspectrometry / CompoundDb

Creating and using (chemical) compound databases
https://rformassspectrometry.github.io/CompoundDb/index.html
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non integer msLevel values #80

Closed jmbadia closed 3 years ago

jmbadia commented 3 years ago

In MoNA I have found some spectra with non-orthodox msLevel entries, such as "MS2 to MS5 composite". Maybe it would be a good idea not to use integers for msLevel but factors?

jorainer commented 3 years ago

Hm, I'm not sure I want to change the whole layout (given that this will also have implications on Spectra and other packages that depend on that) based on some special cases. I would then maybe rather want to have an NA_integer_ MS level for these, but have an additional column ms_level_text that contains the original information from MoNA? Note that adding additional columns to a CompDb is never a problem, just changing/removing the "minimally required" ones would be problematic.

jmbadia commented 3 years ago

I have seen that you usually link the commit to the issue, @jorainer. I'll copy that next time. Now I guess I can link the issue to the pull request #81.

jorainer commented 3 years ago

Closing this issue now as it seems to be fixed by PR #72 . Feel free to re-open if needed.