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rformassspectrometry / Spectra

Low level infrastructure to handle MS spectra
https://rformassspectrometry.github.io/Spectra/
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Support arbitrary spectra variables in addProcessing #183

Closed jorainer closed 3 years ago

jorainer commented 3 years ago

This PR adds the functionality to support passing arbitrary spectra variables to the user-provided function in addProcessing (issue #182). These can be specified with the parameter spectraVariables and these can then be accessed in the user-defined function. This enables e.g. to calculate neutral loss spectra by subtracting the precursor m/z from the m/z values of each spectrum (issue #181).

jorainer commented 3 years ago

just pinging (or better bugging) you again with the PR review request :) @lgatto @sgibb

lgatto commented 3 years ago

looking at it now