Dear PANalytical HighScore (Plus) User:

1. Purpose:

The COD database file you find here is meant to be used with version 3.0e or
a higher version 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-d)
of this software.

2. Procedure:

a) Download the two files (COD_Oct2014.zip.002, COD_Oct2014.zip.EXE) from the

COD archive and put them in one folder.

b) Run the *.zip.EXE file to “glue” the two split files together again.

c) Install the database file (COD_Oct2014.hsrdb) on your PC by unzipping

the “glued-together” COD_Oct2014.zip file.
(You better ‘Defragment’ your disk before putting such a large file on it.
(It is recommended to put such a database file NOT on the C: drive.)

d) 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_Oct2014.hsrdb’ contains a total of 290276 calculated reference patterns.

This conversion is based on revision cod-rev125427-2014.10.15.zip
of the original COD.

The reference patterns are subdivided into 4 subfiles:

a) User Organic 247116 patterns (C-H bond present in CIF)
b) User Inorganic 43110 patterns (all other CIFs)
c) Metallic 3311 patterns (only metals present in CIF)
d) User Mineral 13638 patterns (mineral name is present in CIF)

These 4 subfile properties 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:

No significant changes with respect to previous versions. The number of entries in the
COD is growing fast.

5. Hashes:

Filename: COD_Oct2014.zip.002
MD5: a8d8de527126b0be3f362568a43c04aa
SHA1: e7d49188b825f1f8fa4a3333338967b0ac78f20f
CRC32: 429c3bc1
Modified time: 10/28/2014 11:57:55 AM
Created time: 10/28/2014 11:56:21 AM
File Size: 1,455,059,242

Filename: COD_Oct2014.zip.EXE
MD5: 76297ef284dc9878779323a388cad3bf
SHA1: c76a34f6f8020ea85830685d7e42ab3f0f270adc
CRC32: 2ee02432
Modified time: 10/28/2014 11:56:21 AM
Created time: 10/28/2014 11:55:20 AM
File Size: 1,455,059,243

6. Citation
Please use the following text, when you publish results achieved with a COD reference
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.

COD reference database 2012:

Gražulis, S.; Chateigner, D.; Downs, R. T.; Yokochi, A. F. T.; Quirós, M.; Lutterotti, L.;
Manakova, E.; Butkus, J.; Moeck, P. & Le Bail, A.; Crystallography Open Database - an
open-access collection of crystal structures, J. Appl. Cryst., 2009, 42, 726-729.

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

Downs, R. T. & Hall-Wallace, M. (2003). "The American Mineralogist

Crystal Structure Database" American Mineralogist 88, 247-250.