Well, I agreed but then I realised that when since it is being stated in the beginning of the log file that it is using the xxx_scale values (even though it's not) it might confuse some people even more than it confused me. In addition the fix_xxx default values aren't in the GUI so you have to start guessing from a blank.<br>
<br>It matters not to me since I need the optimize option at this point.<br><br>Cheers,<br>Morten<br><br><div class="gmail_quote">On 20 June 2012 21:42, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
Hi Morten,<br>
<br>
that might be a glitch... Though as long as you can define fix_xxx
weights you can take these constants into account anyway!<br>
So, yes, I see it as a "cosmetic" problem, but I don't think it
matters too much in reality.<span class="HOEnZb"><font color="#888888"><br>
<br>
Pavel</font></span><div><div class="h5"><br>
<br>
On 6/20/12 5:36 AM, Morten Groftehauge wrote:
<blockquote type="cite">Hi all,
<div><br>
</div>
<div>
<div>I tried specifying wxc, wxu, wxu_scale and
wxc_scale as you can see from the log file:</div>
<div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px"><font face="courier new, monospace">� target_weights {</font></div>
<div><font face="courier new, monospace" color="#222222">� �
wxc_scale = 0.50001</font></div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px"><font face="courier new, monospace">� � wxu_scale = 0.49999</font></div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px"><font face="courier new, monospace">� � fix_wxc = 6</font></div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px"><font face="courier new, monospace">� � fix_wxu = 0.35</font></div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px"><font face="courier new, monospace">}</font></div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">but
the refinement proceeds with the default values for _scale:</div>
<div>
<div><font face="courier new, monospace" color="#222222">==========================
Target weights: x-ray data =========================</font></div>
<div><font face="courier new, monospace" color="#222222"><br>
</font></div>
<div><font face="courier new, monospace" color="#222222">|-----------------------------------------------------------------------------|</font></div>
<div><font face="courier new, monospace" color="#222222">|
XYZ refinement: T = Eexperimental * wxc * wxc_scale +
Echem * wc � � � � � �|</font></div>
<div><font face="courier new, monospace" color="#222222">|
wxc = 6.000000 � � � � � � �wxc_scale = 1.000 � � � � �
�wc = 1.000 � � � � |</font></div>
<div><font face="courier new, monospace" color="#222222">|
angle between x-ray and geometry gradient vectors: � �
None (deg) � � � � � |</font></div>
<div><font face="courier new, monospace" color="#222222">| �
� � � � � � � � � � � � � � � � � � � � � � � � � � � �
� � � � � � � � � |</font></div>
<div><font face="courier new, monospace" color="#222222">|
ADP refinement: T = Eexperimental * wxu * wxu_scale +
Eadp �* wu � � � � � �|</font></div>
<div><font face="courier new, monospace" color="#222222">|
wxu = 0.350000 � � � � � � �wxu_scale = 0.500 � � � � �
�wu = 1.000 � � � � |</font></div>
<div><font face="courier new, monospace" color="#222222">|
angle between Xray and ADP gradient vectors: � � None
(deg) � � � � � � � � |</font></div>
<div><font face="courier new, monospace" color="#222222">|-----------------------------------------------------------------------------|</font></div>
</div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">
<br>
</div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">I
am running dev-1082, used the GUI for phenix.refine.</div>
<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">
<br>
</div>
</div>
<div>Cheers,</div>
<div>Morten</div>
</div>
</blockquote>
</div></div></div>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Morten K Gr�ftehauge, PhD�<div>Pohl Group</div><div>Durham University</div><br>