feat: add extractSpectraData function

lgatto / MSnbase

Base Classes and Functions for Mass Spectrometry and Proteomics

http://lgatto.github.io/MSnbase/

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feat: add extractSpectraData function #523

Closed jorainer closed 3 years ago

jorainer commented 3 years ago

Add extractSpectraData to extract all data from an MSnExp, Spectrum or MSpectra as a DataFrame. This data could then be passed to the Spectra constructor to create a Spectra from the original object (see also issue https://github.com/rformassspectrometry/Spectra/issues/123).

lgatto commented 3 years ago

Quick question before the review: why call this extractSpectraData() and not spectraData() in line with the Spectra nomenclature?

jorainer commented 3 years ago

Hm, good point. Well, mainly because we're actually extracting here also the m/z and intensity values and not just the spectraData - but I can change that, no problem.

lgatto commented 3 years ago

No, fine, let's keep it then. The might be an extensive operation for large data, so maybe the name extract will avoid it to be called spuriously.