[phenixbb] "Negative reflections" (previously Are sigma cutoffs for R-free reflections cheating?)

Ed Pozharski epozh001 at umaryland.edu
Mon Dec 7 07:25:10 PST 2009


No, it won't.  I believe Pavel and I agree that assigning zero
amplitudes to negative intensity reflections is wrong.  The question is
should such reflections be excluded from refinement *if* the mistake has
already been made.  My uneducated guess is that Pavel believes that this
will have undetectable effect on a final model.  I am, as usual,



On Sat, 2009-12-05 at 08:06 +0100, Alexandre OURJOUMTSEV wrote:
> Hi, Ed and Pavel,
> > No, of course. I was just wondering how better (and what is 
> > "better" in  this case) the refinement results will be if one
> includes the 
> > negative (zero) reflections into the process of refinement, and did 
> > anyone clearly demonstrate it. 
> Can the work below help your discussion?
> Best regards,
> Sacha
> =============
> Acta Cryst. (1978). A34, 517-525    [ doi:10.1107/S0567739478001114 ]
> On the treatment of negative intensity observations
> S. French and K. Wilson
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Edwin Pozharski, PhD, Assistant Professor
University of Maryland, Baltimore
When the Way is forgotten duty and justice appear;
Then knowledge and wisdom are born along with hypocrisy.
When harmonious relationships dissolve then respect and devotion arise;
When a nation falls to chaos then loyalty and patriotism are born.
------------------------------   / Lao Tse /

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