International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G, ch. 3.4, p. 139

Section 3.4.4.5. Other information

G. Madariagaa*

aDepartamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain
Correspondence e-mail: gotzon.madariaga@ehu.es

3.4.4.5. Other information

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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] ) 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.








































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