The purpose of DPS_refine is to bring the calculated
and observed diffraction pattern into the best possible agreement in
order to obtain accurate intensity data in the subsequent
reflection integration step. The refinement algorithm is substantially
based on ideas discussed by Rossmann (1979).
The program refines the following parameters:
- Crystal orientation or [A] matrix -- initially determined by
dps_index (or mosflm).
- Geometrical parameters which contribute to the [Q] matrix --
direct beam position, crystal-detector distance, detector tilts.
- Crystal lattice parameters -- restrained by symmetry of the appropriate
Page last updated: January 28, 2000