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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Description:
Data items in the DIFFRN category record details about the diffraction data and their measurement.Examples:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP.
_diffrn.id 'Set1'
_diffrn.ambient_temp 293(3)
_diffrn.ambient_environment
; Mother liquor from the reservoir of the vapor diffusion
experiment, mounted in room air
;
_diffrn.crystal_support
; 0.7 mm glass capillary, sealed with dental wax
;
_diffrn.crystal_treatment
; Equilibrated in rotating anode radiation enclosure for
18 hours prior to beginning of data collection
;
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Example 2 - based on data set TOZ of Willis, Beckwith & Tozer [(1991).
Acta Cryst. C47, 2276-2277].
_diffrn.id 'd1'
_diffrn.details
; \q scan width (1.0 + 0.14tan\q)\%, \q scan rate 1.2\% per
min. Background counts for 5 sec on each side every scan.
;
_diffrn.ambient_temp 293
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Mandatory category: no
Copyright © 2005 International Union of Crystallography