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XDS.INP: Difference between revisions
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→The most important keywords to get data reduction running
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A minimal XDS.INP needs at least these keywords and their parameters: | A minimal XDS.INP needs at least these keywords and their parameters: | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#ORGX= ORGX ORGY] '''The most critical parameters for a successful data reduction''' . See [[Obtaining ORGX ORGY]] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#ORGX= ORGX ORGY] - in pixels '''The most critical parameters for a successful data reduction''' . See [[Obtaining ORGX ORGY]] | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DETECTOR_DISTANCE= DETECTOR_DISTANCE] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DETECTOR_DISTANCE= DETECTOR_DISTANCE] - in millimeters | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#OSCILLATION_RANGE= OSCILLATION_RANGE] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#OSCILLATION_RANGE= OSCILLATION_RANGE] - in degrees | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#X-RAY_WAVELENGTH= X-RAY_WAVELENGTH] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#X-RAY_WAVELENGTH= X-RAY_WAVELENGTH] - in Angstrom | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#NAME_TEMPLATE_OF_DATA_FRAMES= NAME_TEMPLATE_OF_DATA_FRAMES] - | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#NAME_TEMPLATE_OF_DATA_FRAMES= NAME_TEMPLATE_OF_DATA_FRAMES] - path and name of frames, with wildcards for numbers | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DATA_RANGE= DATA_RANGE] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DATA_RANGE= DATA_RANGE] - numbers of frames to be reduced | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#BACKGROUND_RANGE= BACKGROUND_RANGE] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#BACKGROUND_RANGE= BACKGROUND_RANGE] - same for initial calibration purposes | ||
DETECTOR NX NY QX QY - for a list of supported detectors and possible geometries, see http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#Table%20of%20supported%20detectors . | DETECTOR NX NY QX QY - for a list of supported detectors and possible geometries, see http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#Table%20of%20supported%20detectors . | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DIRECTION_OF_DETECTOR_X-AXIS= DIRECTION_OF_DETECTOR_X | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DIRECTION_OF_DETECTOR_X-AXIS= DIRECTION_OF_DETECTOR_X-AXIS] - often 1 0 0 | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html# ROTATION_AXIS= ROTATION_AXIS] | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#DIRECTION_OF_DETECTOR_Y-AXIS= DIRECTION_OF_DETECTOR_Y-AXIS] - often 0 1 0 | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#INCIDENT_BEAM_DIRECTION= INCIDENT_BEAM_DIRECTION] - often 0 0 1 | |||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html# ROTATION_AXIS= ROTATION_AXIS] - often 1 0 0 at a synchrotron | |||
== Keywords which influence the success, outcome and quality of data reduction == | == Keywords which influence the success, outcome and quality of data reduction == | ||