Download COD_Oct2014_ReadMe - Crystallography Open Database

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)
b)
c)
d)
User Organic
User Inorganic
Metallic
User Mineral
247116 patterns (C-H bond present in CIF)
43110 patterns (all other CIFs)
3311 patterns (only metals present in CIF)
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:
MD5:
SHA1:
CRC32:
Modified time:
Created time:
File Size:
COD_Oct2014.zip.002
a8d8de527126b0be3f362568a43c04aa
e7d49188b825f1f8fa4a3333338967b0ac78f20f
429c3bc1
10/28/2014 11:57:55 AM
10/28/2014 11:56:21 AM
1,455,059,242
Filename:
MD5:
SHA1:
CRC32:
Modified time:
Created time:
File Size:
COD_Oct2014.zip.EXE
76297ef284dc9878779323a388cad3bf
c76a34f6f8020ea85830685d7e42ab3f0f270adc
2ee02432
10/28/2014 11:56:21 AM
10/28/2014 11:55:20 AM
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.