NMR spectra - J-coupling induced splitting

Topics related to Spinach package
Post Reply
NMR-trainee
Posts: 12
Joined: Tue May 24, 2022 6:32 am

NMR spectra - J-coupling induced splitting

Post by NMR-trainee »

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.
Attachments
Output
Output
Spectra1.png (29.18 KiB) Viewed 427 times
Code
Code
Code1.PNG (226.19 KiB) Viewed 427 times
kuprov
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.
Post Reply