Hello!
How can I see the multiplet splitting with spinach?
I'm working on a simple spin system, and the wanted output is a one dimensional NMR spectrum with 3 spikes and their splittings. Currently I have the right spectrum, except for the splittings. When I increase the J-coupling scalars, I can clearly see the splittings in the right places, but not with my physical J-coupling values. The system consists of 5 protons, or '1H'. The whole code is in the attached picture, as well as is my current output of the code. I have two of the missing splittings in the spectra.
The code also has my relaxation theory, but its commented out since I get the same answer with exp-1d, as when I use the relaxation theory and none-1d.
Thanks for the support, I'm still a novice in spin systems so help is much needed.
NMR spectra - J-coupling induced splitting
-
- Posts: 12
- Joined: Tue May 24, 2022 6:32 am
NMR spectra - J-coupling induced splitting
- Attachments
-
- Output
- Spectra1.png (29.18 KiB) Viewed 1715 times
-
- Code
- Code1.PNG (226.19 KiB) Viewed 1715 times
Re: NMR spectra - J-coupling induced splitting
Reduce the apodisation in Line 59, or increase the numbers in Lines 50-51. At the moment, your broadening happens at the data processing stage because the apodisation (process used to artificially drive the FID to zero in the absence of relaxation) is rather extreme.