Release notes

Changes with respect to the previous version include:

  • Correction of bugs.
  • The possibility for explicit control of the refinement of the diffraction parameters in all steps during data processing.
  • A better method for estimating the errors of reflection intensities and for recognition of outliers.
  • The facility for processing images generated by the BRUKER SMART6000 CCD detector in the new format (Note, that the images have to be already corrected for spatial distortions).
  • A feature that allows to treat Bijvoet pairs as different reflections in the calculation of the absorption correction factors.
  • A facility for zero-dose extrapolation of reflection intensities.
  • A parallel version of the scaling program, xscale_par.
  • A simple method for converting XDS_ASCII reflection files to CCP4 format.
  • Additional input parameters.

 

New input parameters that can be specified in XDS.INP
REFINE(IDXREF)=
REFINE(CORRECT)=
PATCH_SHUTTER_PROBLEM=
STRICT_ABSORPTION_CORRECTION=

New input parameters that can be specified in XSCALE.INP
MAXIMUM_NUMBER_OF_PROCESSORS=
STRICT_ABSORPTION_CORRECTION=
0-DOSE_SIGNIFICANCE_LEVEL=
CRYSTAL_NAME=
STARTING_DOSE=
DOSE_RATE=

New input flags that can be specified in XDSCONV.INP
CCP4 and IALL

Wolfgang Kabsch
page last updated: December 3, 2003