To start data processing with XDS

  • Move to the subdirectory you have previously created to accommodate the files resulting from data processing.
  • Download the appropriate template file, say XDS-MARCCD.INP if you collected your images on a MARCCD, from the list below and save as XDS.INP in the current subdirectory.
  • Edit XDS.INP to describe your actual data collection experiment. Consult the documentation for details of the meaning of the input parameters in XDS.INP.
  • Type xds to invoke the program. XDS will read the file XDS.INP you have just edited and starts processing your data. If processing was successful, the main results, namely the integrated reflection intensities, are saved in the file XDS_ASCII.HKL.

XDS.INP file templates for various detectors

file name detector
XDS-MAR.INP old MAR-detector
XDS-MAR345.INP MAR345-detector
XDS-RAXIS2.INP R-AXIS II IMAGING PLATE DETECTOR
XDS-RAXIS4.INP R-AXIS IV IMAGING PLATE DETECTOR
XDS-RAXIS5.INP R-AXIS V IMAGING PLATE DETECTOR
XDS-DIP2020.INP MACscience IMAGING PLATE DETECTOR. DIP2020-series (2500 x 2500 pixels)
XDS-MARCCD.INP MAR CCD-detector and (1k X 1k)-CCD used at CHESS
XDS-ADSC.INP ADSC Q4, Q105, Q210 & Q315 Quantum
XDS-SMARTCCD.INP SMART6000 CCD detector (new and old BRUKER format)
XDS-D2AM.INP CCD-detector at beamline D2AM at ESRF (Michel Roth)
XDS-ESRF.INP CCD-detector at beamline #3 at ESRF
XDS-BRANDEIS_B4.INP (2k X 2k)-CCD Detector used at Brookhaven beamline B4
XDS-CCDBRANDEIS.INP (2080 X 2072)-CCD Detector used at BNL X12c; (1k X 1k)-CCD Detector (Walter Phillips) used at BNL
XDS-VIDEMETRIX.INP (512 X 512) VIDEMETRIX CCD-Detector (Walter Phillips) at Brandeis
XDS-SIEMENS.INP X100A SIEMENS Multiwire detector

 

 

 
Templates for other programs of the package

file name

explanation
XSCALE.INP template (example) input file for running xscale
XDSCONV.INP template (example) input file for running xdsconv
CELLPARM.INP template (example) input file for running cellparm

Wolfgang Kabsch
page last updated: September 15, 2003