r/NMRspectroscopy

▲ 26 r/NMRspectroscopy+2 crossposts

Visualization of J-Coupled NMR Spectra Across Magnetic Fields

This video demonstrates interactive simulation of J-coupled NMR spectra using the SpinSpec platform:
https://nmrspec.org

The example shown here is triethyl phosphate.

The simulation is based on direct diagonalization of the spin Hamiltonian and allows visualization of spectral evolution across different magnetic field conditions — from high-field NMR down to Earth-field regimes.

The current implementation reproduces the main transition structure well even at ultra-low magnetic fields, although transition amplitudes may differ from full density-matrix-based simulations.

The platform is intended for:
• teaching and visualization of spin interactions
• rapid prototyping of spin systems
• comparison of spectra under different magnetic fields

The project is developed with participation of researchers affiliated with Gebze Technical University (Turkey) and Saint Petersburg State University (Russia).

Feedback and suggestions are welcome:
feedback@nmrspec.org

u/Greedy_Mistake1027 — 4 hours ago

Anyone worked with Cosine-modulation of shaped pulses?

Hey everyone,

I am curious, if anyone here has ever worked with cosine-modulation of shaped pulses in NMR. If yes, how did you generate the modulation?

For Bruker Topspin users specifically (Shape Tool):

  • do you directly use Manipulate WaveForm => Cosine Modulation? (Then, do you just avoid certain "bad" modulation frequencies and work with known ones?)
  • or Single/Multiple Phase Modulation with ±Offset frequencies?

If you use any other software / workflow, or know of literature discussing practical implementations of cosine modulation, I would appreciate any pointers.

This is not exactly a doubt or troubleshooting question. I am only trying to understand what is the common approach across different labs and users.

reddit.com
u/AdNarrow5701 — 1 day ago