[Cod-bugs] Fwd: Cod-bugs post from sakurabayashi26 at sanken.osaka-u.ac.jp requires approval

[Saulius Gražulis]

Dear dr. Sakurabayashi

thank you for depositing your data to the COD!

Indeed, we should relax Rf requirements for the MicroED structures, but 
for now, please proceed as follows:

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;

2. your submission should be then ready for deposition ("green"). Please 
deposit it and send us:

    a) the COD ID of the deposited structure;
    b) the saved '_refine_ls_R_factor_gt' and the 
'_refine_ls_wR_factor_ref' lines (data items;

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.

HTH,

Sincerely yours,
Saulius

On 2024-04-23 08:39, Saulius Gražulis wrote:
>
> Dear COD team,
>
> I am Shuhei Sakurabayashi in Osaka University, Japan.
>
> I am currently trying to deposit the microED crystal structure of an 
> organic compound onto COD.
>
> In the validation step, the following error occurred, and I cannot 
> proceed.
>
> The following errors were detected in file [ND.cif]:
> Data block nd:
> data item '_refine_ls_R_factor_gt' value '0.2149' is > 0.2.
> data item '_refine_ls_wR_factor_ref' value '0.5835' is > 0.45.
>
> Can I proceed to the next step by adding a comment or something?
>
> Best regards,
> Shuhei Sakurabayashi
>
> -------- Forwarded Message --------
> Subject: 	Cod-bugs post from sakurabayashi26 at sanken.osaka-u.ac.jp 
> requires approval
> Date: 	Tue, 23 Apr 2024 04:03:18 +0300
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-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
mobile: (+370-684)-49802, (+370-614)-36366

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