EasySpin forum

joscha_nehrkorn

If you want to fit your data using EasySpin, there is no need to convert it to the Bruker file format. Once you have it as an array in Matlab you are good to go. Anyhow, what did you try?

joscha_nehrkorn

Levelsplot uses a threshold for plotting. This means all transitions are calculated, but only those with a transition probability above the threshold are displayed. However, if you want to see more (or all) transitions you can adjust that threshold. In the below example all possible transitions are ...

joscha_nehrkorn

Have you tried the following? esfit('globalfit',[spec_X(:,2);spec_Q(:,2)]',Sys1,Vary1,Exp,SimOpt,FitOpt); Check the size of the different vectors: spec_X(:,2) should have size 4096 x 1, spec_Q(:,2) 3000 x 1. Then [spec_X(:,2);spec_Q(:,2)] should have 7096 x 1 and [spec_X(:,2);spec_Q(:,2)]' 1 x 7096.

joscha_nehrkorn

You have to run esfit such that it returns the best-fit parameters in a structure. bestsys = esfit('pepper',sn,FitSys,Vary,Exp); The structure bestsys contain the best-fit parameters. The simplest way to store this information is to use the matlab command save. However, this will not generate a text...

joscha_nehrkorn

Code: Select all

eig(sham(Sys,[0,0,0]))

gives you the eigenvalues of the Hamiltonian of the system Sys in zero field.

joscha_nehrkorn

The error you reported here might be because at some point in your double loop both line widths were zero. EasySpin needs a finite line width to calculate a derivative spectrum.
Anyhow, you might be better of in fitting the line width using esfit.

joscha_nehrkorn

Hi Dijana, it does work if you use rotN = [0 0 1]; However, the point is that in the example the resonance field is plotted as function of the angle theta. theta is defined as then angle between the z axis of the crystal frame and the z axis of the lab frame. By setting rotN along the z ais, theta i...

joscha_nehrkorn

thanasis pointed out the wrong order in loading the file. Next you use the addnoise function with an assumed Signal-to-Noise ratio of 0.0000000000000000000000000000000000001. Is there any particular reason for that? To perform a fit the structure Exp should contain your experimental parameter. At le...

joscha_nehrkorn

You can define a custom function for fitting. See:

http://easyspin.org/easyspin/documentat ... omfunction

joscha_nehrkorn

parfor does not like structures. You have to define the structure inside the loop explicit with the struct() command. The following workaround work:

Code: Select all

clear all

Exp.mwFreq = 9.6; 
Exp.Range = [0 500];
parfor i=1:20
  Sys = struct('g', 2*rand);
  s(i,:) = pepper(Sys,Exp);
end

EasySpin forum

Search found 32 matches

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