EasySpin forum

I am working on a paramagnetic fluoride and have collected a solid state static 19F NMR spectrum at 300 MHz, it is a nice axial powder lineshape several MHz wide. Is there any convenient way to fit this spectrum with esfit? I set up a fit as if it were a frequency swept X-band spectrum (I added 9 GHz to the frequency) with an axial g and I get a nice fit, but the broadening and g values don't have real correspondence to chemical shift/MHz. Any way to substitute nuclear magneton and nuclear g in Pepper? I am not aware of an analog of Easyspin for NMR that has such a nice interface for fitting powder lineshapes.

I did not think this through in detail, but if you scale the g values by the ratio of the gyromagnetic ratios of the electron an fluorine, and if you use the absolute NMR frequency, you might actually be able to do this. you would just need to think about how to get from the 'g'-matrix to the chemical shift.

May be Spinach program will be appropriate (http://spindynamics.org/Spinach.php)?