Repeatability Issue on feeding already optimized parameters

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sg_epr
User
Posts: 28
Joined: Sun Apr 03, 2016 1:18 am

Repeatability Issue on feeding already optimized parameters

Post by sg_epr »

Hi, Generally I use one of the entries in "Parameter Sets" from GUI to start the new cycle of fitting during a run. But, when any of the variable touches the limit of variation during the run, one needs to change the end limits for least square fitting to continue. For this, i close the GUI and retype/repaste the code on Command Window with new limit to the parameter. Now for this new run, if I am using the best parameters of last run as the start point, I expect the starting RMSD to be same as the end point of the last run with similar fit. Though it is not the case, and i get a broad hump with no transitions (and high RMSD) to start with and my fitting starts from the scratch again. Will appreciate any help in this regard. Thanks
joscha_nehrkorn
EasySpin Guru
Posts: 32
Joined: Wed Jan 20, 2016 11:35 am

Re: Repeatability Issue on feeding already optimized paramet

Post by joscha_nehrkorn »

I tested this and in my case it worked fine. To avoid mixing up the numbers, export the parameter set you want to use and use the exported system for the new fitting attempt. If it the first parameter set which you export, this might look like this

Code: Select all

esfit('pepper',data,fit1.Sys,Vary,Exp,SimOpt,FitOpt);
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