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<div class="moz-cite-prefix">Dear Milad,</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">thank you for your interest in COD.
Yes, I am aware about Iranian situation; I am greatly dismayed to
hear that Iran blocks the Internet access and cracks down upon
citizens.</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">I regret to tell you the the files that
you have sent us are not suitable for the COD database (and this
is the reason why they failed the validation).</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">COD accepts only structures with atomic
coordinates in CIF format [1,2]. As I understood from the files
that you have sent us, you conducted a powder diffraction
experiment. To get atomic coordinates from such data, phasing,
modelling and Rietveld refinement of the structure should be done.
Guidelines of the IUCr procedures should be followed [3]. COD does
not accept plain powder diffraction traces for deposition.<br>
</div>
<p>To deposit just a powder diffraction trace in a public repository
you may consider uploading your files to Zenodo or Data Dryad. But
even then you need to add a great deal of metadata to you
diffraction data. As a bare minimum, you need to specify what was
your sample and how it was obtained; the model and type of you
measurement instrument; instrument settings (wavelength, X-ray
tube voltage and current, slit settings, detector type,
monochromator type, etc.); specify when, where and by whom the
data were collected. For administrative purposes, you may want to
specify the institution address where the measurement was
performed and the funding source. Needless to say, data must be in
some standardised format (e.g. CIF); original files from the
instrument should also be provided. Plain Matlab files are not the
best way to distribute you measurements.<br>
</p>
<p>Hope this helps...</p>
<p>Sincerely,<br>
Saulius<br>
</p>
<div class="moz-cite-prefix">Refs.:</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">[1] <span style="caret-color: rgb(0,
0, 0); color: rgb(0, 0, 0); font-family: sans-serif; font-size:
medium; font-style: normal; font-variant-caps: normal;
font-weight: normal; letter-spacing: normal; orphans: auto;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; text-decoration: none; display:
inline !important; float: none;">Hall, S. R.; Allen, F. H. &
Brown, I. D.</span><span style="caret-color: rgb(0, 0, 0);
color: rgb(0, 0, 0); font-family: sans-serif; font-size: medium;
font-style: normal; font-variant-caps: normal; font-weight:
normal; letter-spacing: normal; orphans: auto; text-align:
start; text-indent: 0px; text-transform: none; white-space:
normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; text-decoration: none; display:
inline !important; float: none;"> The crystallographic
information file (CIF): a new standard archive file for
crystallography<span class="Apple-converted-space"> </span></span><em
style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: sans-serif; font-variant-caps: normal; font-weight:
normal; letter-spacing: normal; orphans: auto; text-align:
start; text-indent: 0px; text-transform: none; white-space:
normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; text-decoration: none;">Acta
Crystallographica Section A,<span class="Apple-converted-space"> </span></em><span
style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: sans-serif; font-size: medium; font-style: normal;
font-variant-caps: normal; font-weight: normal; letter-spacing:
normal; orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
text-decoration: none; display: inline !important; float: none;"></span><b
style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: sans-serif; font-style: normal; font-variant-caps:
normal; letter-spacing: normal; orphans: auto; text-align:
start; text-indent: 0px; text-transform: none; white-space:
normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; text-decoration: none;">1991</b><i
style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: sans-serif; font-variant-caps: normal; font-weight:
normal; letter-spacing: normal; orphans: auto; text-align:
start; text-indent: 0px; text-transform: none; white-space:
normal; widows: auto; word-spacing: 0px;
-webkit-text-stroke-width: 0px; text-decoration: none;">, 47</i><span
style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: sans-serif; font-size: medium; font-style: normal;
font-variant-caps: normal; font-weight: normal; letter-spacing:
normal; orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
text-decoration: none; display: inline !important; float: none;">,
655-685, DOI: <a class="moz-txt-link-freetext" href="https://doi.org/10.1107/S010876739101067X">https://doi.org/10.1107/S010876739101067X</a></span></div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">[2] IUCr. Crystallographic Information
Framework <b>2022</b>, URL: <a class="moz-txt-link-freetext" href="https://www.iucr.org/resources/cif">https://www.iucr.org/resources/cif</a>;
accessed 2022-11-15T14:28+02:00.<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">[3] David, W. I. F.; Shankland, K.;
McCusker, L. B. & Baerlocher, C. Structure Determination from
Powder Diffraction Data Oxford University Press, 2002, URL:
<a class="moz-txt-link-freetext" href="https://isbnsearch.org/isbn/0199205531">https://isbnsearch.org/isbn/0199205531</a> .<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 2022-11-07 19:06, Milad Rasouli
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAOL=vvja0wDZdM-h0k7CN04e0mTM3CMyY2pMEe-0HNoAmeeDPg@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr"><br>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">Dear
Sir or Madam,</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">I
hope you are well!</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">I
am writing to you regarding the deposition of our
prepublication data to COD.</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">I
am trying to add our XRD data to the Crystallography Open
Database, but I get an error when I try to validate the data.</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">Please
find enclosed the proposed file for deposition in the
Crystallography Open Database.</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">As
you may know, Iran's government blocked internet access as the
protests grew. Therefore, we have limited access to the
internet.</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">Could
you please let me know what I should do?</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">This
step should be completed as part of the process of publishing
our article in Scientific Reports. Therefore, your kind
response at your earliest convenience will be greatly
appreciated!</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px"><br
aria-hidden="true">
</p>
<p
style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;color:rgb(37,37,37);margin-top:0px;margin-bottom:0px">All
the best,<br aria-hidden="true">
Milad Rasouli</p>
<br>
<br>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
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<p><br>
</p>
<pre class="moz-signature" cols="72">--
Dr. Saulius Gražulis
Vilnius University, Life Science Center, Institute of Biotechnology
Saulėtekio al. 7, LT-10257 Vilnius, Lietuva (Lithuania)
phone (office): (+370-5)-2234353, mobile: (+370-684)-49802, (+370-614)-36366
</pre>
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