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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001012 Chapter 4.3 Multi-block CIF dictionaryaJohn de Laeter Centre, Curtin University, GPO Box U1987, Perth, WA 6845, Australia, bAustralian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW 2232, Australia, and cSector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, LT-10257, Vilnius, Lithuania. The multi-block dictionary adds data names to the core dictionary which allow description of data spread over multiple data units (blocks). By default, all data names in Set categories must be single-valued in a data block. If one or more key data names are supplied to these Set categories, information in these categories spread over multiple data blocks can be combined together. This dictionary redefines Set categories to include new key data names, adds the key data name definitions, and defines any linked and child data names. Keywords: Crystallographic Information Framework; CIF dictionaries; multi-block dictionary; Set categories; key data names; DDLm. |
This chapter is in preparation
