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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) b) c) d) User Organic User Inorganic Metallic User Mineral 285,740 patterns (C-H bond present in CIF) 72,863 patterns (all other CIFs) 9,319 patterns (only metals present in CIF) 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: MD5: SHA1: CRC32: Modified time: Created time: File Size: COD_2016_ConvHS4x.zip 7d3749d0f5c03460295309be2e1ce945 5c193fb892f45a6040c233c6b412b599cdebb61a 0387feb5 6/16/2016 11:05:50 AM 6/16/2016 12:20:45 PM 3,866,296,841 Filename: MD5: SHA1: CRC32: Modified time: Created time: File Size: COD_2016_Conv45.hsrdb 902eb80f650288df7515f33053cbde40 8ab87816d267d6715c861cce3c1a0f5c94b2a34e 6332d410 6/15/2016 9:03:17 PM 6/14/2016 11:52:56 AM 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.