Dear PANalytical HighScore (Plus) User:

1.	Purpose:

The COD database file you find here is meant to be used with versions 4.x of the HighScore or HighScore Plus software packages from 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 ‘COD_2016_ConvHS4x.zip’ from the COD archive and put
it in a folder of choice. 

b)	Install the database file (COD_Oct2014.hsrdb) on your PC by unzipping 
the COD_2016_ConvHS4x.zip file. The unzipped file is called ‘COD_Jun2016.hsrdb’.    (It is recommended to put such a database file NOT on the C: drive.)

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

  

3.	Details  

The file ‘COD_Jun2016.hsrdb’ contains a total of 358603 calculated reference patterns. 
This conversion is based on revision cod-rev182113-2016.04.16.zip
of the original COD.

The reference patterns are subdivided into 4 subfiles:

a)	User Organic		285,740 patterns (C-H bond present in CIF)
b)	User Inorganic	  72,863 patterns (all other CIFs)
c)	Metallic	  	    9,319 patterns (only metals present in CIF)
d)	User Mineral	 	  13,702 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. The number of entries in the COD is growing fast.

 	
5.	Hashes:

Filename:		COD_2016_ConvHS4x.zip
MD5:			7d3749d0f5c03460295309be2e1ce945
SHA1:			5c193fb892f45a6040c233c6b412b599cdebb61a
CRC32:		0387feb5 
Modified time:	6/16/2016 11:05:50 AM
Created time:	6/16/2016 12:20:45 PM	
File Size:		3,866,296,841

Filename:		COD_2016_Conv45.hsrdb
MD5:			902eb80f650288df7515f33053cbde40
SHA1:			8ab87816d267d6715c861cce3c1a0f5c94b2a34e
CRC32:		6332d410
Modified time:	6/15/2016 9:03:17 PM
Created time:	6/14/2016 11:52:56 AM
File Size:		5,110,215,680

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.