Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category REFLNS

Name:
'_reflns_[]'

Definition:

   Data items in the REFLNS category record details about the
   reflections used to determine the ATOM_SITE data items.

   The REFLN data items refer to individual reflections and must
   be included in looped lists.

   The REFLNS data items specify the parameters that apply to all
   reflections. The REFLNS data items are not looped.

Example:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    _reflns_limit_h_min                0
    _reflns_limit_h_max                6
    _reflns_limit_k_min                0
    _reflns_limit_k_max                17
    _reflns_limit_l_min                0
    _reflns_limit_l_max                22
    _reflns_number_total               1592
    _reflns_number_gt                  1408
    _reflns_threshold_expression       'F > 6.0u(F)'
    _reflns_d_resolution_high          0.8733
    _reflns_d_resolution_low           11.9202


Type: null

Category: category_overview


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.