EasySpin forum

When I use levelsplot to generate the energy level, I only see one transition. However, when I try to simulate the spectra using pepper, I see two transitions. one of the peaks is isotropic and the other one behave exactly as the transition in levelsplot (anisotropic). I can not use gstrain since I am coupling two spin systems. What could be the reason?

Post your Sys structure(s).

levelsplot shows the transition(s) for the one orientation of your spin system that you supply. The spectrum you get with pepper is a powder spectrum; which represents transitions for all orientations of your spin system. The number of features in a derivative powder spectrum reflects tensor symmetry, not the number of transitions.

Pepper gives a powder spectrum unless I specify the orientation which I did.

Can you post your input structures for both pepper and levelsplot?

Wakka wakka wakka wrote:When I use levelsplot to generate the energy level, I only see one transition. However, when I try to simulate the spectra using pepper, I see two transitions. one of the peaks is isotropic and the other one behave exactly as the transition in levelsplot (anisotropic). I can not use gstrain since I am coupling two spin systems. What could be the reason?

It's a little hard to understand what exactly your problem is without an example to work from, so it'd be helpful to also post the matlab script.