JeschkeLab / DeerLab

Python package for data analysis for dipolar EPR spectroscopy
https://jeschkelab.github.io/DeerLab
MIT License
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Permit negative P(r) in DeerLab #457

Closed schmidtnedlitz closed 1 year ago

schmidtnedlitz commented 1 year ago

Dear DeerLab,

I am emailing you to find out on how to remove the restriction on the P(r) to be positive that it can actually also take negative values into account for my T1-edited DEER. I remember in the old DeerAnalysis software I saw a comment that restrained it to be positive, but it seems that I am unable to find it in the current DeerLab version.

I would appreciate if one could implement a comment that permits negative P(r). I dont try to get negative populations but rather a negative modulation of a population as a function of inversion pulse.

thank you for your help, Thomas