Dear PANalytical HighScore (Plus) User:

1.	Purpose:

The COD database file you find here is meant to be used with versions 4.x and 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 ‘COD23_HS4x.hsrdb from the COD archive and put
it in a folder of choice. 

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 ‘COD23_HS4x.hsrdb’ contains a total of 495593 calculated reference patterns. 
This conversion is based on COD of February 2nd 2023

The reference patterns are subdivided into 4 subfiles:

a)	User Organic		413,179 patterns (C-H bond present in CIF)
b)	User Inorganic	  82,414 patterns (all other CIFs)
c)	Metallic	  	    9,795 patterns (only metals present in CIF)
d)	User Mineral	 	  14,257 patterns (mineral name is present in CIF)

These 4 subfiles are automatically assigned, depending on criteria tested for each CIF entry. With the introduction of subfiles a separate minerals database file is no longer available.

4.	Changes:

The PANalytical internal database structure is updated. This database file can only 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:		COD23_HS4x.hsrdb
MD5:			f8aed0468eca3e9de3b6ec9eb41c232b
SHA1:			667283ec59d13f10fec988a70d81e4069e8d6e55
CRC32:		dde40fca
Modified time:	03/02/2023 21:29:48
Created time:	03/02/2023 22:00:43
File Size:		7,366,781,952

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

6.	Citations
Please use the following text, when you publish results achieved with a COD reference or structure database:
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.