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Journal of Applied Crystallography, ISSN 1600-5767, 02/2016, Volume 49, Issue 1, pp. 292 - 301
A syntax‐correcting CIF parser, COD::CIF::Parser, is presented that can parse CIF 1.1 files and accurately report the position and the nature of the discovered... 
CIF parsers | Perl | Crystallography Open Database | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | FILE | OPEN-ACCESS COLLECTION | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 02/2016, Volume 49, Issue 1, pp. 277 - 284
Version 2.0 of the CIF format incorporates novel features implemented in STAR 2.0. Among these are an expanded character repertoire, new and more flexible... 
CIF | CIF 2.0 | CRYSTALLOGRAPHY | STAR FILE | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of applied crystallography, ISSN 0021-8898, 2003, Volume 36, Issue 1, pp. 7 - 13
The results of a single‐crystal structure determination when in CIF format can now be validated routinely by automatic procedures. In this way, many errors in... 
data validation | crystallographic information file (CIF) | ABSOLUTE-CONFIGURATION | CRYSTALLOGRAPHY | SYMMETRY
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 08/2010, Volume 43, Issue 4, pp. 920 - 925
publCIF is an application designed for creating, editing and validating crystallographic information files (CIFs) that are used in journal publication. It... 
computer programs | publishing tools | CIF editor | CRYSTALLOGRAPHY | Usage | Software | Crystallography | Graphite | Image management | Websites | Editing | Representations | Windows (computer programs) | Computer programs
Journal Article
Acta Crystallographica Section A, ISSN 2053-2733, 01/2015, Volume 71, Issue 1, pp. 59 - 75
This paper describes the mathematical basis for olex2.refine, the new refinement engine which is integrated within the Olex2 program. Precise and clear... 
restraints | Olex2 | refinement | constraints | least squares | small molecules | CIF | CHEMISTRY, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | Constraints | Computation | Mathematical analysis | General overviews | Derivatives | Anatomy | Physical properties | Engines | Displacement
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 02/2016, Volume 49, Issue 1, pp. 285 - 291
The CIF API is an application programming interface and accompanying reference implementation for reading and writing CIFs and manipulating CIF data, with... 
CIF | CIF 2.0 | computer programs | CRYSTALLOGRAPHY | STAR FILE | CHEMISTRY, MULTIDISCIPLINARY | Applications programming | Public software
Journal Article
Acta Crystallographica Section B, ISSN 2052-5206, 04/2016, Volume 72, Issue 2, pp. 171 - 179
The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small‐molecule crystal structures. The database... 
CIF archive | Cambridge Structural Database | open data | crystal structure database | CAPABILITIES | MOLECULE | INFORMATION | KNOWLEDGE | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | CHEMICAL-STRUCTURE | DIFFRACTION | FILE | GEOMETRY | Structure | Databases | Crystals
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 08/2009, Volume 42, Issue 4, pp. 726 - 729
The Crystallography Open Database (COD), which is a project that aims to gather all available inorganic, metal–organic and small organic molecule structural... 
COD | structural databases | Crystallography Open Database | Structural databases | FILE | CHEMISTRY, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | Databases | Structure | Analysis | Crystals | Media coverage | Crystallography | Crystal structure | CIF applications
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 04/2004, Volume 37, Issue 2, pp. 335 - 338
The enCIFer program permits the location, reporting and correction of syntax and format violations in single‐ or multi‐block crystallographic information files... 
enCIFer | computer programs | CIF applications | LANGUAGE | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | CAMBRIDGE STRUCTURAL DATABASE
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 1/2012, Volume 40, Issue D1, pp. D420 - D427
Using an open-access distribution model, the Crystallography Open Database (COD, http://www.crystallography.net) collects all known 'small molecule small to... 
RELATIONAL DATABASE | CIF | INFORMATION | BIOCHEMISTRY & MOLECULAR BIOLOGY | PROTEIN DATA-BANK | FILE | SOFTWARE | Cooperative Behavior | Models, Molecular | User-Computer Interface | Crystallography | Databases, Factual
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 12/2011, Volume 44, Issue 6, pp. 1259 - 1263
iotbx.cif is a new software module for the development of applications that make use of the CIF format. Comprehensive tools are provided for input, output and... 
CIF | computer programs | cctbx | iotbx.cif | TOOLKIT | CRYSTALLOGRAPHY | FILE | CHEMISTRY, MULTIDISCIPLINARY | Interfaces | Crystallography | Software | Parsers | Format | Tools | Libraries | C++ (programming language) | Computer programs | CIF applications
Journal Article
MRS bulletin, ISSN 0883-7694, 05/2016, Volume 41, Issue 5, pp. 399 - 409
Universal access to abundant scientific data, and the software to analyze the data at scale, could fundamentally transform the field of materials science.... 
Technical Feature | analytics | informatics | materials data | software | CIF | PHYSICS, APPLIED | API | PERFORMANCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | PARADIGM | Materials information | Landscapes | Incentives | Communities | Materials science | Materials selection | Standards | Computer programs
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 02/2016, Volume 49, Issue 1, pp. 302 - 310
Recent advances in small‐angle scattering (SAS) experimental facilities and data analysis methods have prompted a dramatic increase in the number of users and... 
CIF | sasCIF | computer programs | small‐angle scattering | small-angle scattering | CRYSTALLOGRAPHIC INFORMATION FILE | BIOLOGICAL MACROMOLECULES | STAR FILE | X-RAY-SCATTERING | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | SAXS | Laws, regulations, etc | Imports | MATHEMATICS AND COMPUTING | KNOWLEDGE MANAGEMENT AND PRESERVATION
Journal Article
Materials Chemistry and Physics, ISSN 0254-0584, 06/2007, Volume 103, Issue 2-3, pp. 394 - 399
Nanocrystalline Al O powders have been synthesized by the polymeric precursor method. A study of the evolution of crystalline phases of obtained powders was... 
Crystallite size | Nanopowders | Micro-Raman spectroscopy | Phase transition | Polymeric precursor method | CIF | OXIDE | nanopowders | PARTICLES | MATERIALS SCIENCE, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | crystallite size | Al2O3 | ALUMINA | micro-Raman spectroscopy | POWDER DIFFRACTION | polymeric precursor method | phase transition
Journal Article