Wednesday, 16 December 2009

xia2 release: this is a big one

Hi Folks,

A new xia2 release for you, this time with added radiation damage analysis and html report generation. Release notes below, download available from the usual place. This isa substantial update over the last release and includes the changes reported below.



Changes since
  • Added -xparallel command line option to allow use of forkinitegrate on a cluster with the 3d pipeline.
  • Allow for xia2html (work by Peter Briggs) and (beta) ISPyB output (latter more useful for synchrotron sources, former handy if you want a report.
  • Smart scaling mode switched on by default.
  • Chef now run by default, for radiation damage analysis, e.g.
    Group 1: 2-wedge data collection
    Group 2: Single wedge
    Significant radiation damage detected:
    Rd analysis (12287/LREM): 15.17
    Rd analysis (12287/INFL): 7.89
    Rd analysis (12287/PEAK): 12.82
    Conclusion: cut off after DOSE ~ 608.8

  • Blank images now handled more gracefully.
  • Overloaded and blank images now correctly reported in the summary output, along with abandoned images for the processing with Mosflm. Also postrefinement results.
  • Substantially cleaned up the program output.

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