XDS.INP: Difference between revisions
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[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. | [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. | ||
== Keywords which affect aspects of parameter refinement == | == Keywords which affect aspects of geometry parameter refinement == | ||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#REFINE(IDXREF)= REFINE(IDXREF)] - The defaults (REFINE(IDXREF)=DISTANCE BEAM ORIENTATION CELL AXIS i.e. refine everything) are OK, but '''only if''' COLSPOT has seen '''all''' (or rather, a significant fraction of the) frames. If only a small SPOT_RANGE was used (which is not the best way, but possible), one should use REFINE(IDXREF)= AXIS BEAM ORIENTATION CELL . (The next thing to omit would be AXIS) | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#REFINE(IDXREF)= REFINE(IDXREF)] - The defaults (REFINE(IDXREF)=DISTANCE BEAM ORIENTATION CELL AXIS i.e. refine everything) are OK, but '''only if''' COLSPOT has seen '''all''' (or rather, a significant fraction of the) frames. If only a small SPOT_RANGE was used (which is not the best way, but possible), one should use REFINE(IDXREF)= AXIS BEAM ORIENTATION CELL . (The next thing to omit would be AXIS) | ||
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[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#REFINE(CORRECT)= REFINE(CORRECT)] - The defaults (REFINE(CORRECT)=DISTANCE BEAM ORIENTATION CELL AXIS i.e. refine everything) are OK | [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#REFINE(CORRECT)= REFINE(CORRECT)] - The defaults (REFINE(CORRECT)=DISTANCE BEAM ORIENTATION CELL AXIS i.e. refine everything) are OK | ||
== Keywords which affect whether indexing will succeed == | |||
In addition to [[Obtaining ORGX ORGY]], I recommend to look at: | |||
[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#STRONG_PIXEL= STRONG_PIXEL] - the default is 3, but 6 is usually more appropriate. | |||
== Keywords which affect the speed of data reduction == | == Keywords which affect the speed of data reduction == | ||