Release notes of the December 2003 version of XDS.
last modified
05-02-2008 12:21
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
page last updated: December 3, 2003