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DPS_refine

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).

• 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 crystal system.