Tuesday 28 August 2007

Release 0.2.6.2

To a large extent this fixes the bugs found in the previous version. However there are two new "features" which address some current issues. The fixed bugs relate to the problems people have been finding with detector names. This should never have happened! The cell refinement images are now selected in a more careful way based on the crystal orientation and trying to find the best images for refining individual cell axes. This appears to work well.

There is a test performed to check that the selected lattice symmetry is good. This uses the ratio of rmsd with and without the lattice constraints. If this ratio is > 1.5 by default then that indexing solution will be rejected. If you think this is wrong, add -rejection_threshold 2.0 (say) to the command line.

I am now by default using the latest version of Mosflm. If this proves to be a problem the old version can be specified by -old_mosflm.

Release can be found at the usual place: http://www.ccp4.ac.uk/xia

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