Survey
* Your assessment is very important for improving the workof artificial intelligence, which forms the content of this project
* Your assessment is very important for improving the workof artificial intelligence, which forms the content of this project
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.