Search found 4 matches

by ptg20
Fri Jul 17, 2026 2:54 pm
Forum: Spinach support
Topic: limits of SRSK simulation
Replies: 0
Views: 2273

limits of SRSK simulation

Hi, In version 2_7_6049, I could simulate the effects of SRSK on a spin-1/2 spectrum when the relaxation rate of the quadrupolar nucleus was rather slow. For example in the 1H - 11B case, if used inter.relaxation={'t1t2', 'SRSK'} I could set r1/r2 for the quadrupoar nucleus to be of the order of the...
by ptg20
Wed Oct 02, 2024 9:57 pm
Forum: Spinach support
Topic: Problems with simulations involving SRFK
Replies: 3
Views: 51778

Re: Problems with simulations involving SRFK

Dear Ilya, Thanks for the clarification, I see your point about timescales. I guess (although I am as you can see not super clear on the theory) that the breakdown of the theory doesn't mean that the effect is not there; rather that we can't quantify or predict it. I tried the calculations with the ...
by ptg20
Tue Sep 24, 2024 3:59 pm
Forum: Spinach support
Topic: Exporting data from Spinach to other softwares
Replies: 4
Views: 54934

Re: Exporting data from Spinach to other softwares

Hi folks, I have done this, in a way that works, but needs some topspin fiddling, for both 1D and for some 2D data. This is a long post but a large chunk is the functions themselves. Once you have created a suitable topspin dataset for a given case you can just copy it and you only need to modify pa...
by ptg20
Tue Sep 24, 2024 12:50 pm
Forum: Spinach support
Topic: Problems with simulations involving SRFK
Replies: 3
Views: 51778

Problems with simulations involving SRFK

Dear Spinach community, I have a molecule undergoing exchange in which I wonder if the effects of scalar relaxation of the first kind are visible in 2D NOESY. There is definitely exchange, and I see a strong cross peak with same sign as the diagonal between two spins which are coupled (meta protons ...