Thursday, 13 March 2008

XIA2 release

Have just updated the web page to include release - this is a bug fix for a couple of outstanding issues, namely spacegroup assignment and provision of an existing FreeR column from a file. This also fixes a number of other minor issues.

Changes since

Added possibility to give a reflection file with an existing FreeR_flag column, which will be copied to the output MTZ:
xia2 -freer_file free.mtz

FREER_FILE free.mtz

in the xinfo file (in the same way as the reference reflection file - indeed, this may be the same file...)
Added command line control of the spacegroup - note well that this means that the data WILL NOT be reindexed to a standard setting.
Added support for ADSC Quantum 270.
Intelligent selection of autoindex threshold for Mosflm.
Added support for latest XDS version.
Added support for pilatus 6M mini CBF images.
Fixed problem with cell refinement giving negative mosaic spreads sometimes for 2d pipeline.