- Support for new XDS build.
- Small bug fix / improvement in XDS indexer implementation.
- Capability to ptovide refined experimental geometry via XDS GXPARM.XDS - useful for polycrystal data reduction.
- Now check what you tell the program, viz:
gw56@ws050 nonsense]$ xia2 -3d -nonsense /data/gw56/dl/Cowan/Insulin/insulin/ Traceback (most recent call last): File "/home/gw56/svn/xia2/Applications/xia2.py", line 45, in from xia2setup import write_xinfo File "/home/gw56/svn/xia2/Applications/xia2setup.py", line 35, in from Handlers.CommandLine import CommandLine File "/home/gw56/svn/xia2/Handlers/CommandLine.py", line 1513, in CommandLine.setup() File "/home/gw56/svn/xia2/Handlers/CommandLine.py", line 349, in setup raise RuntimeError, nonsense RuntimeError: Unknown command-line options: -nonsenseand complain if you type in something xia2 does not understand.
- Removed a lot of cruft from the xia2 code base in preparation for some more substantial refactoring.
- Found bug which meant that the labelit beam centre computed in the setup phase was not used - mostly this is not important, unless you are using -3dii.
- Added -ice command-line argument, which will exclude measurements from regions which are typically where ice rings land. Will need to add more subtle mechanism which will allow specific regions to be excluded.
- Specifying resolution with 3d(r) pipeline now works correctly.
- Removed XDS version check by default, which was annoying every new year. If you would like to check that the XDS version is explicitly supported, add -check_xds_version to the command-line.
- Added table of scala runs to sweep name in the debug output, helpful for reviewing in polycrystal data reduction cases.
- Mosaic spread used from Mosflm is now average of all images, not the first or last image.
- Fixed header reading for new Pilatus instruments at DLS and elsewhere.
- Added capacity to pass in known globally postrefined experimental setup via -xparm GXPARM.XDS, only useful with XDS processing pipelines.
- Removed use of ccp4 printpeaks tool, which crashes on new pilatus images, replace with Mosflm for the moment. Move to replacement with labelit code at later stage planned.
Tuesday, 15 March 2011
Much belated xia2 0.3.3.0 release
In the usual place, changes since 0.3.2.0