[phenixbb] anomalous difference map
CPMAS Chen
cpmasmit at gmail.com
Wed Sep 10 06:10:00 PDT 2014
Thanks, Nat.
If this is noise, why the anomalous or LLG peaks could be as high as 5 ~ 6
sigma?
Charles
On Tue, Sep 9, 2014 at 5:58 PM, Nathaniel Echols <nechols at lbl.gov> wrote:
> On Tue, Sep 9, 2014 at 8:40 AM, CPMAS Chen <cpmasmit at gmail.com> wrote:
>
>> Is it possible that I have anomalous and LLG peak, but I have no
>> difference density peak? In this case, is that because the model I have is
>> not good enough or the diffraction data at this site of the model is
>> missing?
>>
>
> You should at a minimum see > 1sigma density in the 2mFo-DFc map, and if
> the site is unmodeled (or modeled as a water) you should see an mFo-DFc
> peak as well. If neither of these applies, the anomalous and LLG peaks are
> probably just noise.
>
> -Nat
>
--
***************************************************
Charles Chen
Research Associate
University of Pittsburgh School of Medicine
Department of Anesthesiology
******************************************************
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