The interface

Optimisation or minimisation is available in relax via the minimise.grid_search and minimise.execute user functions. The mathematical model optimised depends on the current data pipe type - it is implemented differently for each specific analysis. For analyses such as the steady state NOE (Chapter 6) or reduced spectral density mapping (Chapter 8), the solution can be found by direct calculation rather than optimisation. In these cases, the minimise.calculate user function should be used instead.

The relax user manual (PDF), created 2024-06-08.