EasySpin forum

I am trying to simulate different S = 3/2 chromium(III) complexes formed in situ. Based on different D and E values, I often get this notification: ** Looping transitions found. Artifacts at coalescence points possible. First of all, I am not familiar with this terminology. Are these similar to turn...

Hello all, I have just started doing ESEEM simulation. I have looked at examples on the website but few things I do not understand. For the defined system, you have always used two components possibly Sys.A =[Aiso Adip], how is it different than the way we use in other functions, Sys.A =[Az Axy] In ...

Hello, I want to simulate the nutation frquency for different systems. I know it is not available in the current version of easyspin. But, can anyone guide me how can I do that. To start with I have taken a simple spin system of Nitroxide and I am trying to use evolve function to start with but I am...

For a powder sample, there is not a single energy level diagram. If the spin system is anisotropic, then every orientation gives a different energy level diagram. What you can do is to choose a few directions and overlay the plots. Here is an example: clear, clf Sys.S = 1; Sys.D = [1000 200]; % MHz...

You can't! What exactly should a energy level diagram for a powder be? Apart from isotropic cases this does not exists, so it is impossible to calculate. Here is the sample code to figure out what happens, if you don't provide any orientation: Sys = struct(); levelsplot(Sys,[],100); I have tested t...

I want to look at the energy level diagram and allowed transitions using levelsplot for a powder spectrum. Can anyone explain me how can I do that? There are various options for orientation using Ori. What is the default value for it if we do not provide any orientation?

Hello,

I have recently started using 2d experiments with pulse EPR. Can anyone help me with plotting HYSCORE data in Matlab. After importing my experimental data using eprload, it gives me x{1,1},x{1,2} and y.

Thanks in advance.

Hello, There are two things I want to ask 1) I am plotting the energy level diagrams using levelsplot and it shows the transition by different colors (red for 'allowed' and grey for 'forbidden' transitions) and intensity of the color describes its probability amplitude. However, I am interested in c...

Hello all,

Is there any way to export my files in old bruker format (i.e. myfile.par and myfile.spc) rather than myfile.DSC and myfile.DTA?

Thanks

Thanks, it worked after editing