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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. G. ch. 3.4, p. 139
Section 3.4.4.5. Other information
a
Departamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain |
The msCIF and core CIF dictionaries also include items for R factors for different reflection classes (for example, for the main reflections and for the satellite reflections; see Section 3.2.3![[link]](/graphics/greenarr.gif)
) and for describing the variation of interatomic distances due to the modulation. msCIF can be used to create a complete record of the determination of a modulated or composite structure suitable for submitting as an article to an academic journal or for archiving in a database. The obvious next step in the development of msCIF is to adapt or write software that can filter and manage msCIF data and that can generate msCIFs automatically.
