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

[Saulius Gražulis]

Dear dr. Sakurabayashi,

thank you for your message. I'm very glad that your deposition worked!

On 2024-04-24 04:01, sakurabayashi26 at sanken.osaka-u.ac.jp wrote:
>
> Dear Dr. Saulius,
>
> Thank you for the reply.
>
> >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;
>
> I just deposited the cif file with the two lines above commented out.
>
> Deposition seems to have worked.
>
> >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;
>
> The COD ID is 3000497.
>
> Those two lines are shown below;
>
> _refine_ls_R_factor_gt             0.2149
>
> _refine_ls_wR_factor_ref           0.5835
>
> If necessary, please add the below comment as the reason of errors.
>
> This is a MicroED structure refined only kinematically.
>
> Thus, traditional X-ray crystallography thresholds are not adequate.
>
Excellent! I'll insert the values into your structure in the 'on-hold' 
repository. The values will be there when the structure is released.

> If there are still any deficiencies regarding depositions, I would 
> appreciate it if you could let me know.
>
I'll let you know but for now everything seems OK!

Sincerely yours,
Saulius

> Best regards,
>
> Shuhei Sakurabayashi
>
> *From:*Saulius Gražulis grazulis at ibt.lt
> *Sent:* Tuesday, April 23, 2024 3:04 PM
> *To:* cod-bugs at lists.crystallography.net; 
> sakurabayashi26 at sanken.osaka-u.ac.jp
> *Subject:* Re: [Cod-bugs] Fwd: Cod-bugs post from 
> sakurabayashi26 at sanken.osaka-u.ac.jp requires approval
>
> 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
>
>
> -- 
> This message has been scanned for viruses and
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> believed to be clean. 


-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
mobile: (+370-684)-49802, (+370-614)-36366

-- 
This message has been scanned for viruses and
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