feat: add estimatePrecursorIntensity (issue #202)

rformassspectrometry / Spectra

Low level infrastructure to handle MS spectra

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

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feat: add estimatePrecursorIntensity (issue #202) #203

Closed jorainer closed 3 years ago

jorainer commented 3 years ago

This PR adds a function estimatePrecursorIntensity that calculates precursor intensities for MS2 spectra based on matching MS1 peaks from the closest measured MS1 spectra.

lgatto commented 3 years ago

Looking forward to reviewing that one :-)

jorainer commented 3 years ago

Thanks for the review @sgibb ! Really always appreciate your reviews! I'll fix the CI and merge the PR (without your suggestion to use rep_len instead of rep (since performance is slightly better for the latter).