<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
Hi Mark,<br>
<br>
phenix.refine may remove a few reflection outliers as described in
Read, R. J. (1999). Acta Cryst. D55, 1759–1764. Conversion I to F
may also result in a loss of few reflections.<br>
<br>
If you send me original sca file, mtz file and tell how you obtained
mtz file then I may be able to provide more diagnostics.<br>
<br>
Pavel<br>
<br>
<br>
<div class="moz-cite-prefix">On 3/14/18 10:47, Mark A. White wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1521049626.8556.368.camel@marvin.utmb.edu">
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<meta name="GENERATOR" content="GtkHTML/3.32.2">
Hello,<br>
<br>
I have several data sets which seem to loose completeness in their
high-resolution shells when the HKL *.sca file is converted into
an MTZ. I am using the recommended Diederichs CC1/2 cut off of
0.5, which is usually an I/s <2. I also have an usually high
redundancy in these data sets, not sure if that has any effect.
Here is a typical comparison of the Phenix statistics and the HKL
values. Note that the resolution bins do not match, and that the
Phenix refinement was truncated to 3.0Å.<br>
<br>
PHENIX HKL2000/Scalepack<br>
<tt> RESOLUTION RANGE COMPL total CC1/2 CC* Redn
ScP-Angstrom </tt><br>
<tt>50.1353 - 8.8720 97 97.8</tt> <tt>0.989 0.997 10.9
70.00 7.87</tt><br>
<tt> 8.8720 - 7.0483 99 -</tt><br>
<tt> 7.0483 - 6.1591 100</tt> <tt> 99.6</tt> <tt> 0.990
0.997 12.8 7.87 6.25</tt><br>
<tt> 6.1591 - 5.5968 100 99.7</tt> <tt>0.991 0.998
12.9 6.25 5.46</tt><br>
<tt> 5.5968 - 5.1961 99 -</tt><br>
<tt> 5.1961 - 4.8900 99</tt> <tt> 99.6</tt> <tt> 0.991
0.998 13.0 5.46 4.96</tt><br>
<tt> 4.8900 - 4.6453 99 99.5</tt> <tt>0.986 0.996
12.9 4.96 4.60</tt><br>
<tt> 4.6453 - 4.4432 99 99.2</tt> <tt>0.990 0.997
13.1 4.60 4.33</tt><br>
<tt> 4.4432 - 4.2723 99 -</tt><br>
<tt> 4.2723 - 4.1249 99</tt> <tt> 99.8</tt> <tt> 0.988
0.997 13.3 4.33 4.11</tt><br>
<tt> 4.1249 - 3.9960 99 99.9</tt> <tt>0.989 0.997
13.4 4.11 3.94</tt><br>
<tt> 3.9960 - 3.8818 99 99.9</tt> <tt>0.987 0.997
13.5 3.94 3.78</tt><br>
<tt> 3.8818 - 3.7796 100 -</tt><br>
<tt> 3.7796 - 3.6875 100</tt> <tt> 99.8</tt> <tt> 0.985
0.996 13.4 3.78 3.65</tt><br>
<tt> 3.6875 - 3.6037 100 100.0</tt> <tt>0.975 0.994
13.5 3.65 3.54</tt><br>
<tt> 3.6037 - 3.5270 100 -</tt><br>
<tt> 3.5270 - 3.4565 100</tt> <tt>100.0</tt> <tt> 0.964
0.991 13.5 3.54 3.44</tt><br>
<tt> 3.4565 - 3.3912 100 -</tt><br>
<tt> 3.3912 - 3.3307 97</tt> <tt> 99.9</tt> <tt> 0.966
0.991 12.1 3.44 3.35</tt><br>
<tt> 3.3307 - 3.2742 87 100.0 0.916 0.978 10.2 3.35
3.27</tt><br>
<tt> 3.2742 - 3.2214 68 100.0</tt> <tt> 0.857 0.961 8.5
3.27 3.19</tt><br>
<tt> 3.2214 - 3.1719 54 -</tt><br>
<tt> 3.1719 - 3.1252 41</tt> <tt>100.0</tt> <tt> 0.763
0.930 7.4 3.19 3.12</tt><br>
<tt> 3.1252 - 3.0812 33 99.9</tt> <tt>0.616 0.873
6.4 3.12 3.06</tt><br>
<tt> 3.0812 - 3.0396 24 </tt> <tt>-</tt><br>
<tt> 3.0396 - 3.0001 18</tt> <tt> 98.4</tt> <tt> 0.547
0.841 5.8 3.06 3.00</tt><br>
<tt> </tt> <tt> 95.1 0.307 0.685 5.2
3.00 2.95</tt><br>
<tt> </tt> <tt> 89.8 0.302 0.681 4.8
2.95 2.90</tt><br>
<tt> </tt> <tt> 98.9 0.982 0.995 10.9
All reflect. </tt><br>
<table cellspacing="0" cellpadding="0" width="100%">
<tbody>
<tr>
<td>
-- <br>
Yours sincerely, <br>
<br>
Mark A. White, Ph.D. <br>
Associate Professor of Biochemistry and Molecular Biology,
<br>
Manager, Sealy Center for Structural Biology and Molecular
Biophysics <br>
Macromolecular X-ray Laboratory, <br>
Basic Science Building, Room 6.658A <br>
University of Texas Medical Branch <br>
Galveston, TX 77555-0647 <br>
Tel. (409) 747-4747 <br>
<a class="moz-txt-link-freetext" href="mailto://mawhite@utmb.edu">mailto://mawhite@utmb.edu</a> <br>
<a class="moz-txt-link-freetext" href="http://xray.utmb.edu">http://xray.utmb.edu</a> <br>
<br>
QQ: "Don’t persist in folly. Some people commit themselves
to their errors. They commit one error and consider it
constancy to go on that way." <br>
- Baltasar Gracian (1658) <br>
<br>
</td>
</tr>
</tbody>
</table>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
phenixbb mailing list
<a class="moz-txt-link-abbreviated" href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>
<a class="moz-txt-link-freetext" href="http://phenix-online.org/mailman/listinfo/phenixbb">http://phenix-online.org/mailman/listinfo/phenixbb</a>
Unsubscribe: <a class="moz-txt-link-abbreviated" href="mailto:phenixbb-leave@phenix-online.org">phenixbb-leave@phenix-online.org</a></pre>
</blockquote>
<br>
</body>
</html>