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<p>Dear Timothy,</p>
<p>the CIF of COD entry 1545320 is syntactically correct according
to the CIF 1.1 syntax. As Mercury is a closed-source program, I
can not investigate the exact cause of the problem with it.
Nevertheless, I have checked the CIF with cif_linguist
(<a class="moz-txt-link-freetext" href="https://github.com/COMCIFS/cif_api">https://github.com/COMCIFS/cif_api</a>), CIF developer's
implementation of the CIF parser, to find out that cif_linguist
requires CIF value 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
be quoted (I have submitted a bug report,
<a class="moz-txt-link-freetext" href="https://github.com/COMCIFS/cif_api/issues/22">https://github.com/COMCIFS/cif_api/issues/22</a>). The same reason may
be with Mercury. You may try to remove the CIF line with
_refine_ls_extinction_expression data item and try again to test
it.</p>
<p>Best wishes,<br>
Andrius<br>
</p>
<br>
<div class="moz-cite-prefix">On 04/03/2018 04:07 PM, Timothy D
Siegler wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CABKGz-ADj0t5Xi_Mk8q6ahj4wRMrYCucBPY4_4CNYtDQY8kSxQ@mail.gmail.com">
<div dir="ltr">To whom it may concern:
<div><br>
</div>
<div>I just downloaded the new version of Mercury. In the new
version, CIF #1545320 will not load.I tried using both my old
copy and a newly downloaded copy of this CIF file, but both
crash my program. <br clear="all">
<div><br>
</div>
<div><span
style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:small;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline">Other
CIF files I have tried from the database load perfectly
well.<span> </span></span>
<br>
</div>
<div><br>
</div>
<div>Thanks!</div>
<div><br>
</div>
<div>Tim</div>
<div><br>
</div>
-- <br>
<div class="gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr"><b style="font-size:12.8px"><span
style="font-size:10pt;font-family:'Open
Sans',sans-serif"><font color="#666e75">Timothy D
Siegler</font></span><span
style="font-size:10pt;font-family:'Open
Sans',sans-serif;color:rgb(51,63,72)"> </span></b><span
style="font-size:10pt;font-family:'Open
Sans',sans-serif;color:rgb(102,110,117)">| NDSEG Fellow,
Korgel Group</span><span
style="font-size:10pt;font-family:'Open
Sans',sans-serif;color:rgb(51,63,72)"><br>
</span><span style="font-size:10pt;font-family:'Open
Sans',sans-serif;color:rgb(191,87,0)">The University of
Texas at Austin</span><span
style="font-size:10pt;font-family:'Open
Sans',sans-serif;color:black"> </span><span
style="font-size:10pt;font-family:'Open
Sans',sans-serif;color:rgb(102,110,117)">| McKetta
Department of Chemical Engineering | Cockrell School of
Engineering<br>
100 E. 24th St. Austin, TX 78712 | NHB 6.352 |
512-471-7043 | <a href="mailto:tsiegler@utexas.edu"
target="_blank" moz-do-not-send="true">tsiegler@utexas.edu</a> </span><br>
</div>
</div>
</div>
</div>
<br>
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</pre>
</blockquote>
<br>
<pre class="moz-signature" cols="0">--
Andrius Merkys
Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
LT-10257 Vilnius, Lithuania</pre>
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