You should not adjust the error model manually, instead please select
the button "use auto corrections" and rely on the automatically adjusted
error model. This way you do not have to analyze the changes in the
resolution shells.
D.
On 2019-07-01 01:44 PM, Weston Lane wrote:
When you fix the error model in HKL2000 you only have a set of
numbered boxes (1-20) and knowing which box corresponds to which
resolution bin and corresponding chi^2 value isn't apparent without
looking at the log file.
Besides using a script the easiest method IMO is graphically: hover
your mouse (with the red crosshairs) over the I/s and chi^2 vs
resolution plot @ the chi^2=1.0 hash mark and it's easy to see which
bin has the outlier values. See the following screen grab for
clarity. https://i.imgur.com/sr6JQy6.png
Wes
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Dominika Borek, Ph.D. *** UT Southwestern Medical Center
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