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

  1. SIMMOL example (EasyNMR debugging not completely done)
  2. PISA wheels in oriented samples
  3. 1H resolution under ultrafast MAS
  4. Optimization of the DCP-POST-C7 experiment

Advanced examples

  1. Optimal control example
  2. 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.

December 2, 2022, Thomas Vosegaard