rformassspectrometry / Spectra

Low level infrastructure to handle MS spectra
https://rformassspectrometry.github.io/Spectra/
34 stars 24 forks source link

Re-evaluate automatic detection of peaks variables #269

Closed jorainer closed 1 year ago

jorainer commented 1 year ago

The MsBackendMemory supports additional, arbitrary peaks variables which are stored separately from spectra variables. The $<- method tries to automatically detect such peaks variables and assigns them. This should be changed to let the user specifically select or define whether the variable should be a peaks variable or not.

jorainer commented 1 year ago

To be consistent with all other backends it's better to disable the automatic detection/conversion of spectra variables to peaks variables in MsBackendMemory as that can result in unexpected behavior.