esfit results and simulation

[TKienz]

Hello,

we are trying to use esfit to sumulate some rather complicated spectra of organic radicals. So far it works quite well, but when i use the the g-value, coupling constants and linebroadening provided by esfit and try simulate it, the simulation obtained does not look like the one esfit was showing as best result.

I have tried different methods, different scaling (scaling with baseline correction seem to work best, like lsq0). I have tried to use peak-to-peak linebroadening (lwpp) as well as FWHM (lw).

As far as I know the linebroadening is given in mT. I have tried if to convert them to Gauss, MHz and even tried if the value obtained is some sort of intrinsic value, where the starting parameter is set to 0 and the value retrieved is a fraction of +-1 of the range given.

Perhaps someone can help me with this issue.

Code: Select all

g = 2,006600879	
A1 = 10,67662615 G	
A2 = 3,412601787 G	
A3 = 3,411984069 G
A4 = 3,433421609 G	
A5 = 3,432924588 G	
lwpp = 0,232051906 mT

Seems like I can't attach the data converter get_MiniScope.m

Thank you all

[TKienz]

Here the data converter get_Miniscope.m

[Stefan Stoll]

One think to check for is to make sure your Exp.Range settings are the same for the fitting and the simulations.

Can you trim down your code to a small snipped that demonstrates the problem, without the experimental data?