Search found 4 matches

by hbaruch
Wed Mar 04, 2020 12:36 pm
Forum: General forum
Topic: Exp.Ordering in fitting
Replies: 7
Views: 4269

Re: Exp.Ordering in fitting

I apologize, yet I do not understand what does "accessible" mean in this context. The question is a practical one -- i.e. how does chili handle the parameters that define the orientation of the molecule relative to the lab. It seems to me natural that it averages all orientations -- is tha...
by hbaruch
Tue Mar 03, 2020 7:30 am
Forum: General forum
Topic: Exp.Ordering in fitting
Replies: 7
Views: 4269

Re: Exp.Ordering in fitting

-- just to make sure: Suppose we do not use Sys.lambda, then is it true that chili averages on all orientations, i.e. all the relative orientations of the molecular frame relative to those of the lab frame?
Thanks!
by hbaruch
Sat Feb 29, 2020 3:34 am
Forum: General forum
Topic: Exp.Ordering in fitting
Replies: 7
Views: 4269

Re: Exp.Ordering in fitting

Dear Stefan, Thanks so much for your help. I am still confused: 1. In addition to tumbling it seems to me that an orientation needs to be specified. E.g. suppose that the correlation time in z is very slow, while correlation times in x,y are very fast. Then the molecule's z axis is almost fixed, i.e...
by hbaruch
Wed Feb 26, 2020 9:30 am
Forum: General forum
Topic: Exp.Ordering in fitting
Replies: 7
Views: 4269

Exp.Ordering in fitting

Dear all, I am a newcomer to easyspin. I have some elementary questions, as well as specific ones, I'd appreciate your help on any of these: 1. What does chili assume on the relative orientation of the molecular frame relative to the lab frame? Does it average on all 3-dimensional orientations? 2. D...