EasySpin forum

Dear Dr. Stoll,
I am trying to fit the X-band spectra of 1,2-Dimyristoyl-sn-glycero-3-phosphocholine (DMPC) membranes that contain various phosphatidylcholine (nPC) spin labels. The g values and A values are obtained from the rigid limit spectra, they should stay constant. I can vary the diffusion rate and angle of wobble in the cone imposed on the spin probe by the bilayer. Here is my structure
Nx =

g: [2.0086 2.0058 2.0020]
Nucs: '14N'
A: [13.7000 13.7000 96.4000]
logDiff: [8 8 8]
DiffFrame: [0.1745 0.1745 6.2832]
I figured that I would start with 10 degree wobble and the probe can spin 360 degrees around the long axis.
Here is my Vary stracture
Vary =

A: [5 5 5]
logDiff: [3 3 3]
DiffFrame: [0.1745 0.1745 0]
I keep A constant because these values should not change.
I want to know the wobble angle and rate. When I try to ran a fitting routine it returns errors. Also the spectra do not look anything like the experimental ones.

Can you please point me in the right direction.
Thank you,
Natalia

Natalia, this forum is focused on the use of EasySpin and can not in general provide advice on research-related questions such as fitting a model to your data. The simple reason is that most likely nobody on the forum is an expert for your particular problem.