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Difficult datasets: Difference between revisions
→optimizing the parameters for CORRECT
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* [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#NBATCH= NBATCH]= (total angular rotation range)/45 ! to reduce the number of scale factors; the value of NBATCH is shown as NXBIN in CORRECT.LP for the ABSORB and DECAY correction; default is (total angular rotation range)/5. Other values, like (total rotation range)/60 or (total rotation range)/90 might also be tried. Try to match NBATCH with DELPHI (see above). | * [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#NBATCH= NBATCH]= (total angular rotation range)/45 ! to reduce the number of scale factors; the value of NBATCH is shown as NXBIN in CORRECT.LP for the ABSORB and DECAY correction; default is (total angular rotation range)/5. Other values, like (total rotation range)/60 or (total rotation range)/90 might also be tried. Try to match NBATCH with DELPHI (see above). | ||
* maybe [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#CORRECTIONS= CORRECTIONS]= ABSORB ! don't try to correct for MODULATION and DECAY in scaling because these may be poorly determined; however in general it helps to correct for them | * maybe [http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/html_doc/xds_parameters.html#CORRECTIONS= CORRECTIONS]= ABSORB ! don't try to correct for MODULATION and DECAY in scaling because these may be poorly determined; however in general it helps to correct for them | ||
* FRIEDEL'S_LAW=TRUE unless | * FRIEDEL'S_LAW=TRUE unless there is a known anomalous scatterer. A clear sign that FRIEDEL'S_LAW=TRUE is required is that the CHI^2-VALUE OF FIT OF CORRECTION FACTORS is significantly below 1 (e.g. 0.5). If in doubt use the setting that maximizes ISa. | ||
== optimizing the parameters for XSCALE == | == optimizing the parameters for XSCALE == | ||