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XDS.INP: Difference between revisions
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Again, the most important parameters are [[Obtaining ORGX ORGY|ORGX ORGY]]. Often the software which writes the frames puts these numbers into the headers of the frames. However, these numbers are sometimes wrong, and furthermore, XDS does not read and interpret headers of frames. How to obtain estimates for ORGY ORGY from frames is described in [[Obtaining ORGX ORGY]]. | Again, the most important parameters are [[Obtaining ORGX ORGY|ORGX ORGY]]. Often the software which writes the frames puts these numbers into the headers of the frames. However, these numbers are sometimes wrong, and furthermore, XDS does not read and interpret headers of frames. How to obtain estimates for ORGY ORGY from frames is described in [[Obtaining ORGX ORGY]]. | ||
;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#SPOT_RANGE= SPOT_RANGE] | ;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#SPOT_RANGE= SPOT_RANGE] | ||
:If this line is omitted (''and | :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 6 is usually more appropriate. | :the default is 3, but 6 is usually more appropriate, at least if the reflections are well visible. | ||
;[http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#MINIMUM_NUMBER_OF_PIXEL_IN_A_SPOT= MINIMUM_NUMBER_OF_PIXEL_IN_A_SPOT] | |||
:the default is 6, but 3 is usually more appropriate for synchrotron data (small reflections). | |||
See also the article [[Ice_rings]]. | See also the article [[Ice_rings]]. | ||