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Xds: Difference between revisions
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[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds XDS] is the main program of the [[Main Page|XDS program package]]. Binaries are available for Linux | '''If you want to read about this wiki, go to [[Main Page]], please.''' | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds XDS] is the main program of the [[Main Page|XDS program package]]. Binaries are available for Linux and Mac platforms. | |||
XDS reads the user-supplied file [[XDS.INP]] which contains the keywords and parameters for a run of the program. To reduce a dataset, it goes through the steps ("JOB"s) | XDS reads the user-supplied file [[XDS.INP]] which contains the keywords and parameters for a run of the program. To reduce a dataset, it goes through the steps ("JOB"s) | ||
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* [[DEFPIX]] : define parts of detector that should be used for intensity integration | * [[DEFPIX]] : define parts of detector that should be used for intensity integration | ||
* [[INTEGRATE]]: go through dataset and integrate (= calculate intensities of) all reflections | * [[INTEGRATE]]: go through dataset and integrate (= calculate intensities of) all reflections | ||
* [[CORRECT]] : scale symmetry-related reflections and print out statistics | * [[CORRECT]] : scale symmetry-related reflections and print out statistics (file [[CORRECT.LP]]) | ||
(additional, optional JOBs are [[XPLAN]] and [[DIRB]]). | (additional, optional JOBs are [[XPLAN]] and [[DIRB]]). | ||
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for the single-processor version, and | for the single-processor version, and | ||
xds_par | xds_par | ||
for the parallel version of the program (parallelized using OpenMP). | for the parallel version of the program (parallelized using OpenMP). To speed up data reduction even further, several instances of the single or parallel version of the program can be run at the same time on parts of the ''same dataset'' (see MAXIMUM_NUMBER_OF_JOBS= keyword in [[XDS.INP]]). | ||
== See also == | == See also == | ||
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* [[Topics]] as an attempt to provide a hierarchy of pages | * [[Topics]] as an attempt to provide a hierarchy of pages | ||
* [[Performance]] | |||
* [[FAQ]] | |||