NMR spectra - J-coupling induced splitting

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Posts: 12
Joined: Tue May 24, 2022 6:32 am

NMR spectra - J-coupling induced splitting

Post by NMR-trainee »


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.
Spectra1.png (29.18 KiB) Viewed 427 times
Code1.PNG (226.19 KiB) Viewed 427 times
Posts: 123
Joined: Mon Mar 29, 2021 4:26 pm

Re: NMR spectra - J-coupling induced splitting

Post by kuprov »

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.
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