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XDS.INP: Difference between revisions
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[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#BACKGROUND_RANGE= BACKGROUND_RANGE] - same for initial background calibration, "1 5" is usually enough, and "1 20" should be ample. | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#BACKGROUND_RANGE= BACKGROUND_RANGE] - same for initial background calibration, "1 5" is usually enough, and "1 20" should be ample. | ||
== Keywords that additionally describe your experiment == | |||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#FRACTION_OF_POLARIZATION= FRACTION_OF_POLARIZATION] and [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#POLARIZATION_PLANE_NORMAL= POLARIZATION_PLANE_NORMAL=] should be specified for detectors at synchrotron sites. If they are not specified, their effect will mostly be absorbed by the scale factors determined in [[CORRECT]]. | |||
== Keywords for space group assignment == | == Keywords for space group assignment == | ||
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The way how to determine a space group (and unit cell parameters) is described in [[space_group_determination|space group determination]]. | The way how to determine a space group (and unit cell parameters) is described in [[space_group_determination|space group determination]]. | ||
== Keywords which affect which detector pixels will be used == | == Keywords which affect which detector pixels will be used == | ||
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[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#INCLUDE_RESOLUTION_RANGE= INCLUDE_RESOLUTION_RANGE] - the default is "20.0 0.0" but it would be good to change this to sensible values for your data set, e.g. 50.0 for the lower resolution limit and the limiting resolution, where the average signal-to-noise ratio drops below 1, for the upper limit (the latter number could be obtained from [[CORRECT.LP]]). | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#INCLUDE_RESOLUTION_RANGE= INCLUDE_RESOLUTION_RANGE] - the default is "20.0 0.0" but it would be good to change this to sensible values for your data set, e.g. 50.0 for the lower resolution limit and the limiting resolution, where the average signal-to-noise ratio drops below 1, for the upper limit (the latter number could be obtained from [[CORRECT.LP]]). | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS] - the default is "7000. 30000." but the first number is probably on the low side. | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS] - the default is "7000. 30000." but the first number is probably on the low side. See [[Determining_VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS]]. | ||
[ | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#MINIMUM_ZETA= MINIMUM_ZETA] - the default of 0.15 is rather on the safe side. A lower value increases completeness. See [[MINIMUM_ZETA]]. | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#TRUSTED_REGION= TRUSTED_REGION] - The default is "0.00 1.05" but if you have a square detector, and their are reflections visible in the corners, you may go as high as "0. 1.4142". Depending on the symmetry of your crystal, this may give you useful high-resolution data. | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#TRUSTED_REGION= TRUSTED_REGION] - The default is "0.00 1.05" but if you have a square detector, and their are reflections visible in the corners, you may go as high as "0. 1.4142". Depending on the symmetry of your crystal, this may give you useful high-resolution data. | ||