Dear PANalytical HighScore (Plus) User: ======================================= 1. Purpose: ----------- The single ZIP-compressed file you find here is meant to be used with version 3.0a or higher of the PANalytical HighScore or HighScore Plus software packages. ATTENTION: This database can NOT be used with previous versions (1.0, 2.0, 2.1, 2.2, 3.0) of this software. 2. Procedure: ------------- * Download the ZIP-compressed files and unzip them to any folder on your PC. Each ZIP archive will uncompress into a single large file with the .HSRDB extension. These files are directly ready for use in HighScore (Plus)! * Announce the new database for use in the software. Use the "Customize, Manage Databases, Add HighScore database... or the Search for databases" functions. 3. Details ---------- The file "COD_April2011.HSRDB" contains a total of 145472 calculated reference patterns. The reference patterns are subdivided into 4 subfiles: a) User Organic 116061 patterns (C-H bond present in CIF) b) User Inorganics 29411 patterns (all other CIFs) c) Metallic 1659 patterns (only metals present in CIF) d) User Mineral 14710 patterns (mineral name is present in CIF) The 4 subfiles properties are automatically assigned, especially the Minerals subfile is far from perfect due to the "mineral" names given to the CIF datasets in the original COD. With the introduction of subfiles a separate minerals database file is no longer available. 4. Changes: ----------- A bug with all space groups with two possible origin choices has been solved. All reference patterns and standardized structure data from these space groups are now correct. Many thanks to Petr Bezdicka from Czechia for spotting this one! September 2011