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Xds: Difference between revisions
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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) | ||
* [[XYCORR]] | * [[XYCORR]] : setup of spatial correction tables if required | ||
* [[INIT]] | * [[INIT]] : calculate gain of detector and initial background table | ||
* [[COLSPOT]] | * [[COLSPOT]] : find strong reflections for indexing on one or more frames | ||
* [[IDXREF]] | * [[IDXREF]] : index strong reflections in known cell, or supply info about possible cells | ||
* [[DEFPIX]] | * [[DEFPIX]] : define parts of detector that should be used for intensity integration | ||
* [[INTEGRATE]] | * [[INTEGRATE]]: go through dataset and integrate (= calculate intensities of) all reflections | ||
* [[CORRECT]] | * [[CORRECT]] : scale symmetry-related reflections and print out statistics | ||
(additional, optional JOBs are [[XPLAN]] and [[DIRB]]). | (additional, optional JOBs are [[XPLAN]] and [[DIRB]]). | ||