User:Michael

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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
    • 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.