CUVNMR – A paramagnetic NMR simulation program.

CUVNMR is an open-source software tool designed to facilitate the interpretation of paramagnetic nuclear magnetic resonance (pNMR) spectra recorded in solution via their simulation and fitting to experimental data based on precomputed magnetic interaction tensors. It is primarily targeted at experimental chemists, operating without requiring deep knowledge of the underlying physical theories. The software prioritizes usability and features a graphical user interface, thereby eliminating the need for coding expertise. This article provides an overview of the theories employed by CUVNMR for computing chemical shifts and line broadening effects and explains the implemented fitting algorithm and equations.