feat: add filterMzRange and filterMzValues

rformassspectrometry / Spectra

Low level infrastructure to handle MS spectra

https://rformassspectrometry.github.io/Spectra/

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feat: add filterMzRange and filterMzValues #134

Closed jorainer closed 3 years ago

jorainer commented 3 years ago

Add filterMzRange,Spectra and filterMzValues,Spectra to subset spectra keeping only peaks that have either an m/z within the specified range or peaks with m/z values matching the provided m/z value(s) (issue #133).
Add related documentation and unit tests.

jorainer commented 3 years ago

Seems I get an unexpected error in an unit test that I don't get locally. I will investigate.

jorainer commented 3 years ago

Problem is that Spectra now needs a more recent MsCoreUtils package than the version 1.1.3 which is in BioC. Also, it seems that the package builder skips the MsCoreUtils package as it is still at version 1.1.3 although in the Bioc git it is already at 1.1.5. I send a mail to BioC-devel to report this.

jorainer commented 3 years ago

OK, checks run now. So green lights for the review :)

jorainer commented 3 years ago

I agree. I call now closest with .check = FALSE. I'm just waiting for the local tests to pass before pushing.

jorainer commented 3 years ago

Thanks for your review @sgibb !