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Revision as of 10:22, 12 December 2007 by Kay (talk | contribs) (Tables)

XDSSTAT is a home-brewn program that prints various statistics (that are not available from XDS itself) in the form of tables and images.


The program reads from a file written by CORRECT or XSCALE (default: XDS_ASCII.HKL).

As the output is long, it should be called as

xdsstat > XDSSTAT.LP

This will probably soon be changed to the XDS style.

The program may be called with two parameters which define the resolution range of data to be read:

xdsstat 20 3 > XDSSTAT.LP




The following quantities mapped onto the detector surface:

  • misfits.pck: outliers identified in CORRECT. Useful e.g. to identify ice rings.
  • rf.pck: R-factor
  • anom.pck: anomalous signal
  • scales.pck: scale factors between symmetry-related reflections
  • nobs.pck: observed reflections (not very interesting)
  • rlps.pck: reciprocal lorentz factor (not very interesting)

These images are in the .pck format and may be visualized by VIEW.


For now please send email to Kay dot Diederichs at uni-konstanz dot de. The binary program will soon be put on my webpages.

The source code is in Fortran90 and requires a Fortran90-compiled CCP4 library, so few people are currently in a position to compile and link the program. I might opensource it someday, but preferably as part of the XDS distribution.