EasySpin forum

Hi,

I'm new to easyspin and I'm trying to fit some cw X-band spectra obtained from a sample contaning a nitroxide spin labelled organic molecule partly free and partly bound to a large polymer. The spectra has thus 2 visible components, one with fast motion (almost isotropic), another one with slow motion for which the chili function seems appropriate. I aim to do a multicomponent fit to get correlation times. If chili can only simulate spectra in the slow motion regime, I would have to use both chili and garlic in my multicomponent fitting. Is it possible?

Thanks.

chili can also simulate spectra in the fast-motion regime. The underlying theory (Stochastic Liouville equation) is valid for all regimes. All you need to do is give a fast rotational correlation time.

I don't recommend using chili for the rigid limit. For that purpose, pepper is much faster and more accurate.