In all humility, this fitting session toke me hours.
However so much rewarding for the Client.
Simple observation about Auto-calculation mode.
As the fit started being productive @ M ~ 150 auto-calc was operative.
As the fit was getting better by increasing M auto-calc didn't work anymore.
... simple: F9 ... Finally, superb for publishing.
Cheers ... Jean.

Genfit Ligand.sm (70,9 KiB) descargado 1554 vez(es).

... @ this point, publish your project clean well decimated.



Genfit TREASURY Ligand Export_Publish Copy.sm (59,5 KiB) descargado 1497 vez(es).