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XDS.INP: Difference between revisions
→Keywords which affect whether indexing will succeed
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:If this line is omitted (''and SECONDS=0''), the whole DATA_RANGE is used. This is usually a good way to proceed. If there is radiation damage, I would advise to use the first half of the DATA_RANGE as SPOT_RANGE. The SPOT_RANGE in principle may comprise a single frame. <br />Attention: if SECONDS= has a parameter >0, a small SPOT_RANGE will be used if SPOT_RANGE is not explicitly provided! | :If this line is omitted (''and SECONDS=0''), the whole DATA_RANGE is used. This is usually a good way to proceed. If there is radiation damage, I would advise to use the first half of the DATA_RANGE as SPOT_RANGE. The SPOT_RANGE in principle may comprise a single frame. <br />Attention: if SECONDS= has a parameter >0, a small SPOT_RANGE will be used if SPOT_RANGE is not explicitly provided! | ||
;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#STRONG_PIXEL= STRONG_PIXEL] | ;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#STRONG_PIXEL= STRONG_PIXEL] | ||
:the default is 3, but | :the default is 3, but 4 may be more appropriate, to prevent many noise pixel from being picked up. | ||
;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#MINIMUM_NUMBER_OF_PIXEL_IN_A_SPOT= MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT] | ;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#MINIMUM_NUMBER_OF_PIXEL_IN_A_SPOT= MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT] | ||
:the default is 6, but 3 is usually more appropriate for synchrotron data (small reflections). | :the default is 6, but 3 is usually more appropriate for synchrotron data (small reflections). For Pilatus data, 2 or even 1 may be required. | ||
;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#SEPMIN= SEPMIN] | ;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#SEPMIN= SEPMIN] | ||
: | :minimum pixel distance between spots (default: 6). This setting results in an upper limit to the longest primitive cell axis that IDXREF would find, so SEPMIN should be less than X-RAY_WAVELENGTH*DETECTOR_DISTANCE/(longest_primitive_cell_axis*QX). For Pilatus data one might need to lower this to 4 or even 2, for long axes. You can check what the longest permitted axis is, by taking the reciprocal of what is printed out in IDXREF.LP as the value of "MINIMUM ALLOWED DISTANCE BETWEEN REC. LATTICE POINTS". | ||
;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#CLUSTER_RADIUS= CLUSTER_RADIUS] | ;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#CLUSTER_RADIUS= CLUSTER_RADIUS] | ||
:should be half of SEPMIN (or less). This should be an integral value, so for Pilatus one should use 2 or even 1. | :should be half of SEPMIN (or less); the default is 3. This should be an integral value, so for Pilatus one should use 2 or even 1. | ||
See also the article [[Ice_rings]]. | See also the article [[Ice_rings]]. | ||