Pavel,<br><br>Thanks<br><br>Yu<br><br><br><div class="gmail_quote">2011/3/28 Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov">pafonine@lbl.gov</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div text="#000000" bgcolor="#ffffff">
Hi Yu,<div><br> <br><br></div></div></blockquote><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div text="#000000" bgcolor="#ffffff">
<div class="im">
<blockquote type="cite">What is the real meaning of the 'wxu_scale' and 'wu'?<br>
<br>
(scale factor for X-ray/ADP_weight: wxu_scale<br>
ADP weight scale: wu)<br>
</blockquote>
<br></div>
see formula<br>
<br>
Etotal = wxc_scale * wxc * Exray + wc * Egeom<span style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Times; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; font-size: medium;"><span style="font-family: verdana,helvetica,arial,sans-serif; font-size: 14px;"></span></span><br>
<br>
in "Refinement of coordinates" chapter of phenix.refine manual:<br>
<br>
<a href="http://phenix-online.org/documentation/refinement.htm" target="_blank">http://phenix-online.org/documentation/refinement.htm</a><br>
<br>
Same for refinement of ADPs.<div class="im"><br>
<br>
<blockquote type="cite">During ADP refinement, it is suggested to refine the
'wxu_scale', what if I change the value of 'wu'?<br>
</blockquote>
<br></div>
It is not suggested to do at all (I mean you can do it of course but
it's not something that we recommend doing routinely). The default
should be just fine. However at the end of refinement you may want
to tune up the weights to get the best refinement statistics (in
terms of R-factors), and in that case you use "optimize_wxc=true"
and/or "optimize_wxu=true". Only in some weird cases when none of
the above works well, you may want to try playing with wxc_scale and
wxu_scale (out of desperation, I would say).<br>
<br>
Please let me know if it's still not clear.<br>
<br>
Pavel.<br>
<br>
</div>
</blockquote></div><br>