XDSi

XDSi

• XDSi offers you the possibility to process all your datasets in a given directory with minimum effort.

  • You just have to provide it with a resultdirectory and the directory where your frames are stored.
  • All datasets consisting of more than 100 frames within the given directory and all its subdirectories will be processed.
  • For each dataset a space group assignment is done using POINTLESS of the CCP4 software package
  • Plots of the most informative statistics of INTEGRATE.LP, CORRECT.LP and XDSSTAT.LP are generated for each dataset
  • A plot comparing Rmeas, I/sig and Completeness of all the processed datasets is generated
  • You can also generate plots for datasets that have been processed using XDS without XDSi

• XDSi is still alpha, but

  • it should work reasonably well for PILATUS datasets
  • it may work for MAR-CCD datasets if the frames are bzip2ed

• To be able to use XDSi you must have installed

  • xds_par
  • xdsstat
  • xdsviewer
  • pointless
  • gnuplot >= Version 4.0
  • convert (part of ImageMagick)
  • kpdf

• To install XDSi

  • Download xdsi.tar.gz at XDSi
  • tar -zxf xdsi.tar.gz; you get the files xdsi, xdsi_doc.pdf and the folder templates
  • open the file xdsi with a texteditor and change

    • set Templates “/mydir/templates” to the correct path
    • set initial “/mydir/SLS-2009” to the path where your synchrotron data are stored

  • put the file xdsi somewhere in your $PATH (e.g.: /usr/local/bin), chmod 755 xdsi and source ~/.cshrc
  • You should now be able to start XDSi via the command xdsi

If it works well, enjoy!

I (michaelkrug at uni-konstanz dot de) appreciate feedback.