XDS.INP: Difference between revisions

[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. 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#EXCLUDE_RESOLUTION_RANGE= EXCLUDE_RESOLUTION_RANGE] - to exclude ice rings. Whether ice rings are a problem should be obvious by looking at frames, FRAME.pck and the "alien" statistics at the end of [[CORRECT.LP]]. Please note that there are five more "high-resolution" ice ring resolution ranges (given at the end of [[CORRECT.LP]]), in addition to the five ranges already supplied in templates of XDS.INP.