[Cod-bugs] Fwd: COD data taken at ambient conditions?

[Antanas Vaitkus]

---------- Forwarded message ----------
From: Antanas Vaitkus <antanas.vaitkus90 at gmail.com>
Date: 2018-01-25 10:33 GMT+02:00
Subject: Re: [Cod-bugs] COD data taken at ambient conditions?
To: Donald Lindsley <donald.lindsley at stonybrook.edu>


Dear Professor Lindsley,

thank You for taking interest in using the COD.

The COD web search interface currently does not implement search by
temperature and pressure, but an SQL query can be issued directly to the
MySQL database.
A description of how such queries can be constructed, executed and the
structures of interest acquired can be found here:
http://wiki.crystallography.net/howtoquerycod/

I think that in Your case a query of following form should suffice:

SELECT file FROM data WHERE
( diffrtemp is NULL OR ( diffrtemp > 293 AND diffrtemp < 298 ) )
AND
( diffrpressure is NULL OR ( diffrpressure > 100 AND diffrpressure < 102 ) )

This query returns the IDs of all of the structures that have the
measurement temperature in the range of [293; 298] Kelvins and the pressure
in the range of [100; 102] kPa.
It also returns all of the structures for which the temperature and
pressure are not explicitly specified (which sometimes (but not always)
means that the experiment was conducted
at ambient conditions).

Will this approach be sufficient for Your needs?

Sincerely,
Antanas Vaitkus


2018-01-24 17:50 GMT+02:00 Donald Lindsley <donald.lindsley at stonybrook.edu>:

> Hello-
>
> Is there a way to sort the COD to retrieve only data obtained at ambient
> conditions?
>
> Thank you,
>
> Donald Lindsley
> Distinguished Professor Emeritus
> Department of Geosciences
> Stony Brook University​
>
> _______________________________________________
> Cod-bugs mailing list
> Cod-bugs at lists.crystallography.net
> http://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs
>
>


-- 
Antanas Vaitkus,
PhD student at Vilnius University Institute of Biotechnology,
room V325, Saulėtekio al. 7,
LT-10257 Vilnius, Lithuania





-- 
Antanas Vaitkus,
PhD student at Vilnius University Institute of Biotechnology,
room V325, Saulėtekio al. 7,
LT-10257 Vilnius, Lithuania
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.crystallography.net/pipermail/cod-bugs/attachments/20180125/9533ccd3/attachment.html>