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Dear Andrius,</div>
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I appreciate for your coorporation.</div>
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<br>
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Could you please send me the values of _refine_ls_R_factor_gt and</div>
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_refine_ls_wR_factor_ref data items of the aforementioned CIF</div>
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depositions? </div>
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<br>
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The values are below.</div>
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<br>
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ID 3000620</div>
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_refine_ls_R_factor_gt 0.1807</div>
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_refine_ls_wR_factor_ref 0.4132</div>
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<br>
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ID 3000621</div>
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_refine_ls_R_factor_gt 0.1112</div>
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_refine_ls_wR_factor_ref 0.3086</div>
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<br>
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ID 3000622</div>
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_refine_ls_R_factor_gt 0.1336</div>
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_refine_ls_wR_factor_ref 0.3493</div>
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<br>
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ID 3000623</div>
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_refine_ls_R_factor_gt 0.1623</div>
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_refine_ls_wR_factor_ref 0.4271</div>
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<br>
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ID 3000624</div>
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_refine_ls_R_factor_gt 0.1612</div>
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_refine_ls_wR_factor_ref 0.4132</div>
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Best regards,</div>
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Yusuke</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>差出人:</b> Andrius Merkys <andrius.merkys@gmail.com><br>
<b>送信日時:</b> 2025年10月6日 21:14<br>
<b>宛先:</b> 大西 裕介 <ohnishi.yusuke.corefc@osaka-u.ac.jp><br>
<b>CC:</b> 中根 崇智 <tnakane.protein@osaka-u.ac.jp>; cod-bugs@ibt.lt <cod-bugs@ibt.lt><br>
<b>件名:</b> Re: [Cod-bugs] Micro-ED structures with high R_factors could not be deposited to COD as they are</font>
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<div class="PlainText">Dear Yusuke,<br>
<br>
On 2025-10-06 14:53, ohnishi.yusuke.corefc@osaka-u.ac.jp wrote:<br>
> I am Yusuke Ohnishi at the University of Osaka, Japan.<br>
> <br>
> We deposited 5 entries to COD (ID: 3000620~3000624).<br>
> We had to comment out _refine_ls_R_factor_gt and <br>
> _refine_ls_wR_factor_ref items; otherwise the Web interface did not <br>
> accept the depositions.<br>
> Could you please uncomment these lines on the server?<br>
<br>
Could you please send me the values of _refine_ls_R_factor_gt and <br>
_refine_ls_wR_factor_ref data items of the aforementioned CIF <br>
depositions? I assume you have commented out these data items using '#' <br>
symbol as is usual in CIF syntax, however, our software filters out CIF <br>
comments. As a result, I cannot see these data items in the deposited files.<br>
<br>
> They are MicroED structures refined only kinematically.<br>
> Thus, traditional X-ray crystallography thresholds are not adequate.<br>
<br>
Thank you, we are aware of this, and are in the process of lowering the <br>
thresholds for MicroED structures.<br>
<br>
Best wishes,<br>
Andrius Merkys<br>
<br>
-- <br>
Andrius Merkys<br>
Vilnius University Institute of Biotechnology, Saulėtekio al. 7<br>
LT-10257 Vilnius, Lithuania<br>
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