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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.<br>
<br>
Pavel<br>
<br>
On 6/20/12 5:36 AM, Morten Groftehauge wrote:
<blockquote
cite="mid:CAEAG6YSOCNFczwgHCY0LDtdQPt_KiXZmQRJ-0pM3EyDp_wa-4A@mail.gmail.com"
type="cite">Hi all,
<div><br>
</div>
<div>
<div style="">I tried specifying wxc, wxu, wxu_scale and
wxc_scale as you can see from the log file:</div>
<div style="">
<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 color="#222222" face="courier new, monospace">
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 color="#222222" face="courier new, monospace">==========================
Target weights: x-ray data =========================</font></div>
<div><font color="#222222" face="courier new, monospace"><br>
</font></div>
<div><font color="#222222" face="courier new, monospace">|-----------------------------------------------------------------------------|</font></div>
<div><font color="#222222" face="courier new, monospace">|
XYZ refinement: T = Eexperimental * wxc * wxc_scale +
Echem * wc |</font></div>
<div><font color="#222222" face="courier new, monospace">|
wxc = 6.000000 wxc_scale = 1.000
wc = 1.000 |</font></div>
<div><font color="#222222" face="courier new, monospace">|
angle between x-ray and geometry gradient vectors:
None (deg) |</font></div>
<div><font color="#222222" face="courier new, monospace">|
|</font></div>
<div><font color="#222222" face="courier new, monospace">|
ADP refinement: T = Eexperimental * wxu * wxu_scale +
Eadp * wu |</font></div>
<div><font color="#222222" face="courier new, monospace">|
wxu = 0.350000 wxu_scale = 0.500
wu = 1.000 |</font></div>
<div><font color="#222222" face="courier new, monospace">|
angle between Xray and ADP gradient vectors: None
(deg) |</font></div>
<div><font color="#222222" face="courier new, monospace">|-----------------------------------------------------------------------------|</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>
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