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If data set isn't anomalous then I don't see why you would want to
refine against I+/I-.<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 2/6/15 11:26 AM, Guangyu Zhu wrote:<br>
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<blockquote cite="mid:D0FA7CEB.1226%25gzhu@hwi.buffalo.edu"
type="cite">
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<div>What I meant is: I actually don�t have anomalous signal, so
when I use I+/I-, kind of like I use Imean twice for each
reflection. Can I do that? �My guess is that the resolution is
low, so double reflection/parameter ratio really benefits the
refinement, although overall the weight for x-ray term is not
change, because rms bond and angle are similar.</div>
<div><br>
</div>
<div>Newer versions are better for my other refinement with higher
resolution, but not this data set.</div>
<div><br>
</div>
<div>Guangyu</div>
<div><br>
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<span id="OLK_SRC_BODY_SECTION">
<div style="font-family:Calibri; font-size:11pt;
text-align:left; color:black; BORDER-BOTTOM: medium none;
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0in; PADDING-RIGHT: 0in; BORDER-TOP: #b5c4df 1pt solid;
BORDER-RIGHT: medium none; PADDING-TOP: 3pt"><span
style="font-weight:bold">From: </span> Pavel Afonine <<a
moz-do-not-send="true" href="mailto:pafonine@lbl.gov">pafonine@lbl.gov</a>><br>
<span style="font-weight:bold">Date: </span> Friday, February
6, 2015 at 2:12 PM<br>
<span style="font-weight:bold">To: </span> Guangyu Zhu <<a
moz-do-not-send="true" href="mailto:gzhu@hwi.buffalo.edu">gzhu@hwi.buffalo.edu</a>>,
"<a moz-do-not-send="true"
href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>"
<<a moz-do-not-send="true"
href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>><br>
<span style="font-weight:bold">Subject: </span> Re:
[phenixbb] refinement with anomalous data<br>
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<blockquote cite="mid:D0FA7A55.1219%25gzhu@hwi.buffalo.edu"
type="cite">
<div>I use same data set for refinement, so Rfree is also
marked for same reflection. The only difference is that
I chose �Data labels� from Phenix IMEAN or I(+) I(-).
</div>
</blockquote>
<br>
What I meant is that the IMEAN set is not the same as
I(+),I(-) at least because the number of reflections in
IMEAN is not the same as in I(+),I(-).<br>
<br>
<blockquote cite="mid:D0FA7A55.1219%25gzhu@hwi.buffalo.edu"
type="cite">
<div>By the way, I use version 1.8.2 for refinement. Newer
versions gives higher R/Rfree.
</div>
</blockquote>
<br>
Should be the other way around...<br>
<br>
Pavel<br>
<br>
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