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. 133
Section 3.4.3.1.2. Data collection
a
Departamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain |
The categories describing data collection are as follows:
Categories marked with ¶ are already defined in the core CIF dictionary.
New data items in these categories are as follows:
The data items in these categories are straightforward extensions of the core CIF dictionary definitions to the indexing of diffraction intensities by higher-dimensional components. The _diffrn_refln_index_m_* items are the additional Miller indices indexing the modulation wave vectors
when the diffraction wave vector is written as
.
The upper limit of 8 was chosen arbitrarily to limit the number of data items defined in the msCIF dictionary.
_diffrn_reflns_limit_index_m_*
items provide independent checks on the range of values recorded for each of the additional Miller indices . _diffrn_standard_refln_index_m_* items allow the higher-dimensional Miller indices of standard reflections to be recorded.