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→How does one check you've got the ice-rings excluded correctly ? (ie is there a visual way of checking?)
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look at the Wilson plot, and the list of outliers at the bottom of CORRECT.LP. | look at the Wilson plot, and the list of outliers at the bottom of CORRECT.LP. | ||
=== why do the latest XDS/XSCALE versions only give a single table, with I/sigma>=-3 cutoff? === | |||
This was changed in the May 2010 version, and there is no keyword to get the old version of the tables back. | |||
The reason why this has been changed is that only the Signal/noise>=-3 table is meaningful because it describes the data in XDS_ASCII.HKL . These data are used "downstream" for conversion to amplitudes (XDSCONV and TRUNCATE implement French G.S. and Wilson K.S. Acta. Cryst. (1978), A34, 517.), structure solution, and refinement. | |||
If only the positive intensities were output to XDS_ASCII.HKL then this would lead to wrong average intensities at high resolution, wrong conversion to amplitudes, wrong Wilson B factors, and ultimately to worse models. | |||
Consequently just these data are described in CORRECT.LP . These are also the numbers that should go into "Table 1" of your paper. By the way, SCALA and SCALEPACK also do it that way AFAIK. | |||
== other questions == | == other questions == | ||