Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category DIFFRN_REFLNS

Name:
'_diffrn_reflns_[]'

Definition:

   Data items in the DIFFRN_REFLNS category record details about
   the set of intensities measured in the diffraction experiment.

   The DIFFRN_REFLNS data items specify the parameters that apply
   to all intensity measurements. The DIFFRN_REFLNS data items
   are not looped.

   (The DIFFRN_REFLN data items refer to individual intensity
   measurements and must be included in looped lists.)

Example:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    _diffrn_reflns_number              1592
    _diffrn_reflns_av_R_equivalents    0
    _diffrn_reflns_av_unetI/netI       .027
    _diffrn_reflns_limit_h_min         0
    _diffrn_reflns_limit_h_max         6
    _diffrn_reflns_limit_k_min        -17
    _diffrn_reflns_limit_k_max         0
    _diffrn_reflns_limit_l_min         0
    _diffrn_reflns_limit_l_max         22
    _diffrn_reflns_theta_min           3.71
    _diffrn_reflns_theta_max           61.97


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.