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</o:shapelayout></xml><![endif]--></head><body lang=JA link=blue vlink=purple style='word-wrap:break-word'><div class=WordSection1><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Dear Dr. Saulius,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Thank you for the reply.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>I commented out the line with </span><span style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>“<span lang=EN-US>;</span>”<span lang=EN-US>, but it doesn't seem to work (errors still occur).<o:p></o:p></span></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Then, I replaced it with an arbitrary number to meet the criteria shown in the red errors.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Now, I can see no errors (two yellow warnings), but the deposit button is not active yet (screenshot is attached). <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Sorry for bothering you, but I would appreciate if you could tell me how to handle this problem.<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Best,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'>Shuhei Sakurabayashi<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><img width=818 height=395 style='width:8.5208in;height:4.1145in' id="図_x0020_1" src="cid:image001.png@01DA95AC.4B608060"></span><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'> <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Yu Gothic",sans-serif'><o:p> </o:p></span></p><div><div style='border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0mm 0mm 0mm'><p class=MsoNormal><b><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri",sans-serif'>From:</span></b><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri",sans-serif'> Saulius Gražulis <grazulis@ibt.lt> <br><b>Sent:</b> Tuesday, April 23, 2024 3:04 PM<br><b>To:</b> cod-bugs@lists.crystallography.net; sakurabayashi26@sanken.osaka-u.ac.jp<br><b>Subject:</b> Re: [Cod-bugs] Fwd: Cod-bugs post from sakurabayashi26@sanken.osaka-u.ac.jp requires approval<o:p></o:p></span></p></div></div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><div><p class=MsoNormal><span lang=EN-US>Dear dr. Sakurabayashi<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>thank you for depositing your data to the COD!<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>Indeed, we should relax Rf requirements for the MicroED structures, but for now, please proceed as follows:<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>1. please comment out the '_refine_ls_R_factor_gt' and the '_refine_ls_wR_factor_ref' lines (data items) in you submitted file; you can do this in the COD deposition site editor. Please save these lines on you computer in a separate file;<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>2. your submission should be then ready for deposition ("green"). Please deposit it and send us:<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US> a) the COD ID of the deposited structure;<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US> b) the saved '_refine_ls_R_factor_gt' and the '_refine_ls_wR_factor_ref' lines (data items;<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>We will reinsert them into your deposited file with the appropriate comment. You should also be able to reinsert them in the COD data editing Web window if you would like to do so.<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>HTH,<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>Sincerely yours,<br>Saulius<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US>On 2024-04-23 08:39, Saulius Gražulis wrote:<o:p></o:p></span></p></div><blockquote style='margin-top:5.0pt;margin-bottom:5.0pt'><p><span lang=EN-US style='font-size:11.0pt'>Dear COD team,</span><span lang=EN-US><o:p></o:p></span></p><div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=EN-US style='font-size:11.0pt'>I am Shuhei Sakurabayashi in Osaka University, Japan.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=EN-US style='font-size:11.0pt'>I am currently trying to deposit the microED crystal structure of an organic compound onto COD.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=EN-US style='font-size:11.0pt'>In the validation step, the following error occurred, and I cannot proceed.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=EN-US style='font-size:11.0pt'>The following errors were detected in file [ND.cif]:<br>Data block nd:<br>data item '_refine_ls_R_factor_gt' value '0.2149' is > 0.2.<br>data item '_refine_ls_wR_factor_ref' value '0.5835' is > 0.45.</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=EN-US style='font-size:11.0pt'>Can I proceed to the next step by adding a comment or something?</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span lang=EN-US style='font-size:11.0pt'>Best regards,<br>Shuhei Sakurabayashi</span><span lang=EN-US><o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>-------- Forwarded Message -------- <o:p></o:p></span></p><table class=MsoNormalTable border=0 cellspacing=0 cellpadding=0><tr><td nowrap valign=top style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal align=right style='text-align:right'><b><span lang=EN-US>Subject: <o:p></o:p></span></b></p></td><td style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal><span lang=EN-US>Cod-bugs post from <a href="mailto:sakurabayashi26@sanken.osaka-u.ac.jp">sakurabayashi26@sanken.osaka-u.ac.jp</a> requires approval<o:p></o:p></span></p></td></tr><tr><td nowrap valign=top style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal align=right style='text-align:right'><b><span lang=EN-US>Date: <o:p></o:p></span></b></p></td><td style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal><span lang=EN-US>Tue, 23 Apr 2024 04:03:18 +0300<o:p></o:p></span></p></td></tr><tr><td nowrap valign=top style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal align=right style='text-align:right'><b><span lang=EN-US>From: <o:p></o:p></span></b></p></td><td style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal><span lang=EN-US><a href="mailto:cod-bugs-owner@lists.crystallography.net">cod-bugs-owner@lists.crystallography.net</a><o:p></o:p></span></p></td></tr><tr><td nowrap valign=top style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal align=right style='text-align:right'><b><span lang=EN-US>To: <o:p></o:p></span></b></p></td><td style='padding:0mm 0mm 0mm 0mm'><p class=MsoNormal><span lang=EN-US><a href="mailto:cod-bugs-owner@lists.crystallography.net">cod-bugs-owner@lists.crystallography.net</a><o:p></o:p></span></p></td></tr></table><p class=MsoNormal style='margin-bottom:12.0pt'><span lang=EN-US><br><br>As list administrator, your authorization is requested for the<br>following mailing list posting:<br><br>List: <a href="mailto:Cod-bugs@lists.crystallography.net">Cod-bugs@lists.crystallography.net</a><br>From: <a href="mailto:sakurabayashi26@sanken.osaka-u.ac.jp">sakurabayashi26@sanken.osaka-u.ac.jp</a><br>Subject: Deposition of microED crystal structure on COD<br>Reason: Post by non-member to a members-only list<br><br>At your convenience, visit:<br><br><a href="http://lists.crystallography.net/cgi-bin/mailman/admindb/cod-bugs">http://lists.crystallography.net/cgi-bin/mailman/admindb/cod-bugs</a><br>to approve or deny the request.<o:p></o:p></span></p><pre><span lang=EN-US>-- <o:p></o:p></span></pre><pre><span lang=EN-US>This message has been scanned for viruses and<o:p></o:p></span></pre><pre><span lang=EN-US>dangerous content by MailScanner, and is<o:p></o:p></span></pre><pre><span lang=EN-US>believed to be clean.<o:p></o:p></span></pre><pre><span lang=EN-US><o:p> </o:p></span></pre><pre><span lang=EN-US><o:p> </o:p></span></pre></div><p class=MsoNormal><span lang=EN-US><br>-- <br>This message has been scanned for viruses and <br>dangerous content by <a href="http://www.mailscanner.info/"><b>MailScanner</b></a>, and is <br>believed to be clean. <br><br><o:p></o:p></span></p><pre><span lang=EN-US>_______________________________________________<o:p></o:p></span></pre><pre><span lang=EN-US>Cod-bugs mailing list<o:p></o:p></span></pre><pre><span lang=EN-US><a href="mailto:Cod-bugs@lists.crystallography.net">Cod-bugs@lists.crystallography.net</a><o:p></o:p></span></pre><pre><span lang=EN-US><a href="http://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs">http://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs</a><o:p></o:p></span></pre></blockquote><p><span lang=EN-US><o:p> </o:p></span></p><pre><span lang=EN-US>-- <o:p></o:p></span></pre><pre><span lang=EN-US>Dr. Saulius Gražulis<o:p></o:p></span></pre><pre><span lang=EN-US>Vilnius University Institute of Biotechnology, Saulėtekio al. 7<o:p></o:p></span></pre><pre><span lang=EN-US>LT-10257 Vilnius, Lietuva (Lithuania)<o:p></o:p></span></pre><pre><span lang=EN-US>mobile: (+370-684)-49802, (+370-614)-36366<o:p></o:p></span></pre><p class=MsoNormal><span lang=EN-US><br>-- <br>This message has been scanned for viruses and <br>dangerous content by <a href="http://www.mailscanner.info/"><b>MailScanner</b></a>, and is <br>believed to be clean. <o:p></o:p></span></p></div></body></html>