<div dir="ltr">Hi, Phil,<div><br></div><div>Is it right to model the whole ligand molecule to the anomalous difference map? For some sites, the overlap between anomalous difference and difference map is small, while the anomalous difference or difference map itself is rather big. The anomalous difference is way bigger than a single Br can be.</div><div><br></div><div>Thanks!</div><div><br></div><div>Charles</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Sep 8, 2014 at 1:10 PM, Phil Jeffrey <span dir="ltr"><<a href="mailto:pjeffrey@princeton.edu" target="_blank">pjeffrey@princeton.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">In your first sentence your meaning of "difference map" is:<br>
( F_obs - F_calc ), phases<br>
<br>
For an anomalous difference map you're calculating:<br>
( F(+) - F(-) ), phases-90<br>
<br>
So you would still expect to see a peak in the anomalous difference map in the presence of the anomalous scatterer since you are not subtracting off its contribution to the scattering.<br>
<br>
There probably would be (very) small differences in the phases dependent on whether you explicitly model the Br as an anomalous scatterer or not but I have never experimented to see if that makes a small impact on an anomalous difference map.<br>
<br>
Cheers,<br>
Phil Jeffrey<br>
Princeton<br>
<br>
</blockquote></div><br><br clear="all"><div><br></div>-- <br>
<p></p><p>***************************************************</p><p>Charles Chen</p><p>Research Associate</p><p>University of Pittsburgh School of Medicine</p><p>Department of Anesthesiology</p><p>******************************************************</p><p></p>
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