Processing 3D NUS Data: A Step-by-Step Tutorial
This guide walks you through processing 3D NMR experiments recorded with higher percentages of Non-Uniform Sampling
(NUS), typically 20% or higher (NusAMOUNT under ACQUPARS).
Step 1: Initial Processing Without Reconstruction
Given the sufficient NusAMOUNT used in 3D experiments, for efficiency you can process the data without reconstructing
missing points to create projections for phase correction and strip transformation.
ftnd 0 nusft
Step 2: Create Projections for Phase Correction
For proton-detected experiments, set the STSR and STSI values in PROCPARS as described in the 3D phase correction tutorial.
Step 3: Set Processing Parameters
Ensure main processing parameters (edp) are correctly set in edp according to your spectrum type:
| F3 | F2 | F1 | |
|---|---|---|---|
| SI | |||
| PHC0 | |||
| PHC1 | |||
| PH mod | pk | pk | pk |
| BC_mod | qfil or qpol | no | no |
| STSR | |||
| SRSI | |||
| FCOR | |||
| NUS | |||
| Mdd_mod | cs | ||
| MddF180 | false | false | |
| MdPHASE | 0 | 0 |
Optional: Increase Iterations
To improve reconstruction quality, increase the number of iterations:
Mdd_CsNITER 600
The following parameters are automatically set:
- MDD_CsAlg:
IST - MDD_CsVE:
true
Step 4: Process with NUS Reconstruction
Process the spectrum with NUS reconstruction:
ftnd 0
Step 5: Optional Baseline Correction
For further refinement, perform baseline correction:
tabs3
tabs2
tabs1
Authors
- Thomas Evangelidis