With the following fixes:
* Fixed bug where if the distance was read incorrectly from the
image header (or was wrong therein) XDS would get the wrong value even
if you had put the correct value in the .xinfo file.
* Now "unroll" the unmerged reflections from XSCALE and then merge
them in their original sweeps in Scala. This should give a useful Rmerge
vs. time plot.
* Including updated version of Pointless.
* Includes new and more robust handling of pointgroups, lattices
and unstable refinement of parameters during integration.
* Include support for a reference reflection file, which will
ensure that the reflections are indexed in the same way and with the
same spacegroup - useful for mutants.
* Now always use three wedges of images for the cell refinement
with Mosflm as this makes the lattice elimination more reliable.
* If one of the images in a sweep is broken (e.g. corrupted) xia2
will tell you more helpfully rather than just crashing.
* Now correctly read distance from Mar 165 images. Thanks to
Francois Remacle for this fix to DiffractionImage.
* Fixed the use of xia2 -3d with RAXIS IV detectors.
* Use more images for Mosflm autoindexing (three instead of two)
as this gives uniformly better results.
No comments:
Post a Comment