Dear PANalytical HighScore (Plus) User:

1.	Purpose:

The COD database file in this archive (http://www.crystallography.net/cod/archives/2021/PANalytical/COD2021.hsrdb) is for use with versions 4.x or versions 5.x of the HighScore or HighScore Plus software packages from Malvern Panalytical.

ATTENTION:
This database can NOT be used with previous versions (1.0, 2.0, 2.1, 2.2x, 3.0a-e) 
of this software. Download the archived files from 2014 for use with version 3.0e. 

2.	 Procedure:

a)	Download the file ‘COD19_HS4x.hsrdb‘ from the COD archive and put
it in a folder of choice. 
(It is recommended to put such a database file NOT on the C: drive.)

b)	Announce the new database for use in the HighScore software.
Use the ‘Customize, Manage Databases, Add HighScore database...’ 
function or the ‘Search for databases’ function.

3.	Details  

The file “COD2021.hsrdb” contains a total of 466,505 calculated reference patterns. 
This conversion is based on revision cod-rev261822-2021.02.06.zip
of the original COD from February 2021.

The reference patterns are subdivided into 4 subfiles:

a)	User Organic		387,033 patterns (C-H bond present in CIF)
b)	User Inorganic	  76,472 patterns (all other CIFs)
c)	Metallic	  	    9,601 patterns (only metals present in CIF)
d)	User Mineral	 	  14,195 patterns (mineral name is present in CIF)

These 4 subfiles are automatically assigned, depending on criteria tested for each CIF entry. The database file is ready to use and is optimized for fast access.

4.	Changes:

There are no changes in the database layout. This database file can be used by HighScore versions 4.x and 5.x. The number of entries in the COD is still growing fast, mostly in the organic realm.

5.	Hashes:

Filename:		COD2021.hsrdb
MD5:			21df1385d8153a473a1f4352de588758
SHA1:			029f261fa5033a9b3eecb31f46c1e01bca5c75c1
SHA256: 2a9c74566387be540da3b524a5c5a6b0a4755ae3805554562fcb096760389f80

Modified time:	2021-02-22 18:55
Created time:	‎2021-02-11 ‏‎20:49:10
File Size:		7,011,747,840 bytes

(The additional files with “.asc” extensions are digital signatures used by the COD administration.)

6.	Citations
Please use the following citations when you publish results achieved with calculated reference patterns from the COD, or with crystal structure data from the COD:
Gražulis, S., Daškevič, A., Merkys, A., Chateigner, D., Lutterotti, L., Quirós, M., Serebryanaya, N. R., Moeck, P., Downs, R. T. & LeBail, A. (2012) "Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration". Nucleic Acids Research 40, D420-D427. 
Grazulis, S., Chateigner, D., Downs, R. T., Yokochi, A. T., Quiros, M., Lutterotti, L., Manakova, E., Butkus, J., Moeck, P. & Le Bail, A. (2009) "Crystallography Open Database – an open-access collection of crystal structures". J. Appl. Cryst. 42, 726-729.

When your research relies only the subset of COD containing mineral data
from the AMCSD (the range 9* datasets), then please cite this original source database:

Downs, R. T. & Hall-Wallace, M. (2003) "The American Mineralogist Crystal Structure Database". American Mineralogist 88, 247-250.