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GUI mode

  • Start XDSAPP3.
  • After clicking "Load", navigate your data directory and select an image of the dataset of interest. 
  • In the Settings tab you can change parameters as e. g. "Spot range" or "Friedel's law" (default: unknown).
  • Start indexing/processing by clicking the appropriate button in the left column. "Do all" will perform all the steps given in semi-automatic procedure: "Index", "DEFPIX" (without visual feedback), "Integrate + CORRECT" (with a Pointless run to check the reflection conditions), "Analyse" (XDSSTAT, XDSCONV, SFCHECK, phenix.xtriage...).
  • In the "Integrate plots" and "CORRECT plots" tabs, plots of the most important statistics of the processing steps are generated.
  • The most important results from the indexing step, preliminary statistics of the integration step(s) and a summary of the processing are given within the "Summary" tab.
  • Processing results will be in the subfolder "xdsapp" within the directory from where you started XDSAPP3. The files "results_<dataset>.txt" and "results_<dataset>.html" within this folder summarize the results of the processing by XDSAPP3. For a more detailed output, see the "Logfiles and pictures" tab, as well as the "Running output" tab, which contains the usual terminal output from the programs.
  • If the automatic detection of the necessary header information fails, it is possible to put a file named "EXP.INP" in you working directory with the requited parameters given. A template can be generated by selecting the "Print EXP.INP.template" entry in the Help menu.

Optional command line arguments:

  • -c CPU_NO, --cpu=CPU_NO
    set number of cpus for xds, default: all cpus of the machine 
  • -j JOBS_NO, --jobs=JOBS_NO
    set number of parallel jobs for xds, default: 1
  • --nice=NICE_LEVEL
    set nice level of xds, default: 19