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 ‘COD24_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 ‘COD24_HS4x.hsrdb’ contains a total of 511583 calculated reference patterns. 
This conversion is based on COD of May 5th 2024

The reference patterns are subdivided into 4 subfiles:

a)	User Organic		427,103 patterns (C-H bond present in CIF)
b)	User Inorganic	  84,480 patterns (all other CIFs)
c)	Metallic	  	    9,854 patterns (only metals present in CIF)
d)	User Mineral	 	  15,990 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:		COD24_HS4x.hsrdb
MD5:			493c49c648dd8fb2098ff101f32fc776
SHA1:			5f6792483226912a6dbff781b3cde5cce5761fff
CRC32:		c08ee6c5
Modified time:	08/05/2024 00:42:14
Created time:	08/05/2024 08:16:45
File Size:		7,628,778,496

(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.