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LATEST VERSION AT THE END OF THIS TOPIC (click here) Dear EasySpin users, SimLabel is a Graphical User Interface (GUI) which uses some EasySpin functions. SimLabel provides an easy way to visualize, simulate and fit cw EPR spectra, especially resulting from SDSL-EPR experiments (Site-Directed Spin ...

Thanks a lot!
I'll try!

Hi, I know that some fitting programs can perform several correlated simulations at the same time. For example, it could be of interest to simulate spectra of a given sample recorded at multiple frequencies with the same parameters. I don't know how difficult it is, but it could be great to add this...

Hi, I tried to perform chili simulation using the weight field and I obtained strange results... Here is a simple example: we have 3 spin systems (with Exp in the attached test.mat) : 1) Sys1: a radical with an hyperfine coupling (14N). weight=1 2) Sys2: a radical with two hyperfine couplings(14N an...

Hello,
does the new version of esfit include this suggestion? That would be great!

It works... But "ugly" as you said, because all fields have to be redefined... Do you think that in a future release of esfit, we could specify the sim function for each component? If "Internally, esfit just runs a for loop and calls the sim function for each component in turn", ...

Hi, it actually works for one component... Nevrtheless I need to perform a simulation with 2 components with different restrictions. For example, one component (Sys1) has restriction and has to be simulated with mysim.m. The other component has no restriction and has to be simulated with chili... I'...

Wonderful, it works!
Thanks a lot!

Stefan, thanks for your answer. Your solution enables the simulation to be displayed in esfit. But unfortunately, when the fitting process is stoped, an error occured: ??? Error using ==> mysim Too many output arguments. Error in ==> C:\easyspin-4.5.5\easyspin\esfit.p>runFitting at 669 ??? Error whi...

Hi, I try to perform esfit with my own simulation function. When fitting is started, the current simulation is not shown and rmsd is constant. When stopped and saved, the simulation is plotted. Here is my code: clear; close; [B,spc]=eprload('Coli_2.DSC'); load('coli2.mat'); %load Sys Exp Sys.Aperp=S...