rickhelmus

Hi Leon, Funnily enough I actually pushed a small change regarding the centroiding verification. You can now disable this completely: ```r options(patRoon.checkCentroided = FALSE) ``` I did make these checks...

Hi @drewszabo, Thanks for your feedback! I think these are pretty good ideas. Doing the formulas and compounds could indeed be a nice time saver :-) I would need to...

Thanks for starting the discussion (and sorry for my belated reply). I've implemented the simple change where it switches to parameters from an experiment with better response when this situation...