EasySpin forum

Could you perhaps provide us an example of matlab script you're using that's not working.

He was referring to your second section of code above. Without defining a set of euler angles for each nuclei in your system, the crystal symmetry parameter does nothing. There is no way around defining the euler angles for the complete spin system.

Recently I've been working with some specman data files(I just got an instrument running specman back up and running) and sadly Morgan's script for loading in specman files doesn't cover all the bases. Previously in the lab here they were using Kazan viewer , anyway I went in and pulled out the vari...

I had tried my hand at it a little bit yesterday and it all ultimately depends upon the principal axis system you feel like working in but something like: clear Sys.S = 1/2; Sys.g = 2; % axial hyperfine interaction with some isotropic component A = 20*[1 1 -2] + 30; % theta and phi for the vertices ...

You should get the same result from both pepper and garlic in this particular circumstance, Though the code you posted for pepper has a different linewidth, fix that and they are basically equivalent. In terms of the field direction, unless you include anisotropy in the hyperfine interaction the fie...

So I played around with it a little bit, I'm not entirely clear where the problem lies(in garlic), but its partially related to the magnitude of the hyperfine interaction.
As a workaround for now I'd suggest you use pepper when modeling multiple nuclei.

Well that's interesting. Anyway, the problem you're seeing is related to you specifying Exp.Range and likely not increasing Exp.nPoints. If you remove Exp.Range, or increase it to about [0 700] that fixes things a little bit. Some artifacts still appear unless you increase Exp.nPoints. I pulled the ...

I might be mistaken on this but I thought the hyperfine values from that table in Wertz and Bolton correspond to isolated the neutral atoms. Where in your example you have an unpaired electron trapped in the crystal, in which case that unpaired spin density is distributed across multiple atoms so yo...

The above error is due to there being quite a few repetitions within your field vector. I'm not sure if it was an error in collection(software rounded the field values) or a result of some post processing. I guess the followup question is how do you want to handle these repetitions? Just throw them ...

Well as far as I know ES can only handle a linear field axis, unless there is an undocumented feature in the experimental setup(but you'll have to wait for a reply from Stefan in regard to that). My suggestion would be to down interpolate your experimental data to produce a linear field range. To do...