<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<meta name="Generator" content="Microsoft Word 15 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
        {font-family:"Cambria Math";
        panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
        {font-family:Calibri;
        panose-1:2 15 5 2 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
        {margin:0cm;
        margin-bottom:.0001pt;
        font-size:12.0pt;
        font-family:"Calibri",sans-serif;}
a:link, span.MsoHyperlink
        {mso-style-priority:99;
        color:#0563C1;
        text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
        {mso-style-priority:99;
        color:#954F72;
        text-decoration:underline;}
p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
        {mso-style-priority:34;
        mso-margin-top-alt:auto;
        margin-right:0cm;
        mso-margin-bottom-alt:auto;
        margin-left:0cm;
        font-size:11.0pt;
        font-family:"Calibri",sans-serif;}
span.EmailStyle17
        {mso-style-type:personal-compose;
        font-family:"Calibri",sans-serif;
        color:windowtext;}
.MsoChpDefault
        {mso-style-type:export-only;
        font-family:"Calibri",sans-serif;}
@page WordSection1
        {size:612.0pt 792.0pt;
        margin:70.85pt 70.85pt 2.0cm 70.85pt;}
div.WordSection1
        {page:WordSection1;}
/* List Definitions */
@list l0
        {mso-list-id:177083855;
        mso-list-template-ids:-1100308914;}
@list l0:level1
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:36.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level2
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:72.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level3
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:108.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level4
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:144.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level5
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:180.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level6
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:216.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level7
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:252.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level8
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:288.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l0:level9
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:324.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1
        {mso-list-id:948701646;
        mso-list-template-ids:-1549512322;}
@list l1:level1
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:36.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level2
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:72.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level3
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:108.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level4
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:144.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level5
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:180.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level6
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:216.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level7
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:252.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level8
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:288.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l1:level9
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:324.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2
        {mso-list-id:1192189862;
        mso-list-template-ids:1886150564;}
@list l2:level1
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:36.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level2
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:72.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level3
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:108.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level4
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:144.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level5
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:180.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level6
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:216.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level7
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:252.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level8
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:288.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l2:level9
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:324.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3
        {mso-list-id:1337611031;
        mso-list-template-ids:-926642092;}
@list l3:level1
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:36.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level2
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:72.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level3
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:108.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level4
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:144.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level5
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:180.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level6
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:216.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level7
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:252.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level8
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:288.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l3:level9
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:324.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4
        {mso-list-id:1530100677;
        mso-list-template-ids:-342467890;}
@list l4:level1
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:36.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level2
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:72.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level3
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:108.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level4
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:144.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level5
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:180.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level6
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:216.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level7
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:252.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level8
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:288.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
@list l4:level9
        {mso-level-number-format:bullet;
        mso-level-text:;
        mso-level-tab-stop:324.0pt;
        mso-level-number-position:left;
        text-indent:-18.0pt;
        mso-ansi-font-size:10.0pt;
        font-family:Symbol;}
ol
        {margin-bottom:0cm;}
ul
        {margin-bottom:0cm;}
--></style>
</head>
<body lang="DE" link="#0563C1" vlink="#954F72">
<div class="WordSection1">
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">Dear PHENIXBB community,</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">i have come across a strange behavior in Phenix:</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoNormal" style="color:black;mso-list:l2 level1 lfo1"><span lang="EN-US" style="font-size:11.0pt">I copied Rfree-flags from a dataset with very slightly different unit cell</span><span lang="EN-US"><o:p></o:p></span></li></ul>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoNormal" style="color:black;mso-list:l1 level1 lfo2"><span lang="EN-US" style="font-size:11.0pt">Refined the previously refined model against the new data</span><span lang="EN-US"><o:p></o:p></span></li></ul>
<p class="MsoNormal" style="margin-left:36.0pt"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoNormal" style="color:black;mso-list:l4 level1 lfo3"><span lang="EN-US" style="font-size:11.0pt">Rfactors in first round were good</span><span lang="EN-US"><o:p></o:p></span></li></ul>
<p class="MsoNormal" style="margin-left:36.0pt"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoNormal" style="color:black;mso-list:l0 level1 lfo4"><span lang="EN-US" style="font-size:11.0pt">Second round in refinement Rfree was up by 10 % just from the start during bulk solvent modeling and scaling</span><span lang="EN-US"><o:p></o:p></span></li></ul>
<p class="MsoNormal" style="margin-left:36.0pt"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoNormal" style="color:black;mso-list:l3 level1 lfo5"><span lang="EN-US" style="font-size:11.0pt">In another round Rfree was high in the beginning, and then dropped by those 10 % during bulk solvent modelling and scaling.</span><span lang="EN-US"><o:p></o:p></span></li></ul>
<p class="MsoNormal" style="margin-left:36.0pt"><span lang="EN-US" style="color:black"><o:p>&nbsp;</o:p></span></p>
<ul style="margin-top:0cm" type="disc">
<li class="MsoNormal" style="color:black;mso-list:l3 level1 lfo5"><span lang="EN-US">In yet another round Rfree started 10% lower than the previous round during bulk solvent modeling in the first cycle and then it jumps up again in the second cycle.<o:p></o:p></span></li></ul>
<p class="MsoNormal" style="margin-left:36.0pt"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">What could be wrong?</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">Many thanks and kind regards,</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">&nbsp;</span><span lang="EN-US" style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:black">Tobias Weinert</span><span style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><o:p>&nbsp;</o:p></span></p>
</div>
</body>
</html>