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Tips and Tricks: Difference between revisions
→SAD/MAD data reduction: add to STRICT_ABSORPTION_CORRECTION
(→SAD/MAD data reduction: add to STRICT_ABSORPTION_CORRECTION) |
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However: please note that this is just an ''internal'' indicator of data quality. Improved values of internal indicators are not necessarily meaningful, and the true improvement has to be verified by calculating external indicators. In this case it was found that when calculating the correlations of the anomalous signals between wavelengths (using SHELXC), the correlations are higher when STRICT_ABSORPTION_CORRECTION=TRUE is used. See also [[Quality Control]]. | However: please note that this is just an ''internal'' indicator of data quality. Improved values of internal indicators are not necessarily meaningful, and the true improvement has to be verified by calculating external indicators. In this case it was found that when calculating the correlations of the anomalous signals between wavelengths (using SHELXC), the correlations are higher when STRICT_ABSORPTION_CORRECTION=TRUE is used. See also [[Quality Control]]. | ||
A good indicator that STRICT_ABSORPTION_CORRECTION=TRUE should be used is the following: if, when the default STRICT_ABSORPTION_CORRECTION=FALSE is used, the three values of CHI^2-VALUE OF FIT OF CORRECTION FACTORS given near the beginning of CORRECT.LP are significantly higher than 1 (e.g. if they are 2 or more), then you should switch to TRUE and make sure that this reduces those values to about 1. | |||
== Transfer the anomalous signal to the .mtz file even if it is not expected to exist == | == Transfer the anomalous signal to the .mtz file even if it is not expected to exist == | ||