SIMPSON examples

The SIMPSON examples below provide a gentle introduction to SIMPSON and how to simulate simple and advanced NMR experiments using SIMPSON. The examples are wrapped in the EasyNMR web framework to avoid any installation on your own computer. For the examples, either register for an account or use the same password as the suggested username.

Basic examples

1. CSA static and MAS
2. Heteronuclear decoupling
3. Cross polarization
4. REDOR
5. Fitting an experimental spectrum
6. Quadrupole coupling and satellite transitions
7. 2nd order quadrupolar interaction
8. Quadrupoles and RF pulses
9. 3Q excitation in MQMAS

Examples for proteins

10. SIMMOL example (EasyNMR debugging not completely done)
11. PISA wheels in oriented samples
12. ¹H resolution under ultrafast MAS
13. Optimization of the DCP-POST-C7 experiment

Advanced examples

14. Optimal control example
15. Simulation of chemical exchange (two-site jump)

Throughout the examples, we use the Core Scientific Data Model (CSDM) for spectrum storage, as this format is much more versatile than any other spectrum formats. Read more on this web site. A few examples above are currently disabled, while we complete debugging of them. Please contact us by email if you have any questions in this regard.

June 18, 2024, Thomas Vosegaard