XANSONS for COD That's all! You did it!

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#1 XANSONS for COD That's all! You did it!

Unread post by Alez » Sat Sep 30, 2017 11:05 am

XANSONS for COD That's all! You did it!

It remains only to wait for the tasks in progress. Thank you very much for participating! You’ve helped to create the database of simulated powder diffraction patterns: http://database.xansons4cod.com.

You calculated:

x-ray diffraction patterns for 356 202 structures (92.6% of all COD entries),

neutron diffraction patterns for 370 533 structures (96.3% of all COD entries).

Nikolay Khrapov almost finished the database interface. We still need to write the "About" page which is left blank for now.

Since COD itself has advanced search by chemical composition and other properties of the structure, for our database searching only by COD ID is enough. The structure's page (example) contains interactive charts showing simulated powder diffraction patterns, links to the data files with these patterns (in text format) and the list of volunteers who contributed to this page. If the COD ID does not exist or was not processed, the respective page is empty.

Note that despite the COD ID is a 7-digit number, only about 384,600 entries exist and the IDs do not necessary go by numerical order (there are gaps).

SOURCE http://xansons4cod.com/xansons4cod/foru ... .php?id=91
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