[phenixbb] anomalous difference map

Nathaniel Echols nechols at lbl.gov
Tue Sep 9 14:58:27 PDT 2014

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.

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