Monday, 24 August 2009

Parallel mosflm & rotation axis

If you have a rotation axis which is not perpendicular to the beam (or very close to such) you may have noticed that the parallel integration sometimes falls over: this is because the postrefinement radius of convergence is ~ 1 degree, but the orientation may differ by more than this.

Next version I'll add support for the mosflm AUTOMATCH keyword which helps here, but only for mosflm version 7.0.5 as it was broken beforehand.