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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Description:
Data items in the CELL_MEASUREMENT category record details about the measurement of the crystallographic cell parameters.Examples:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP.
_cell_measurement.entry_id '5HVP'
_cell_measurement.temp 293
_cell_measurement.temp_esd 3
_cell_measurement.theta_min 11
_cell_measurement.theta_max 31
_cell_measurement.wavelength 1.54
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Example 2 - based on data set TOZ of Willis, Beckwith & Tozer
[Acta Cryst. (1991), C47, 2276-2277].
_cell_measurement.temp 293
_cell_measurement.reflns_used 25
_cell_measurement.theta_min 25
_cell_measurement.theta_max 31
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Mandatory category: no
Copyright © 2005 International Union of Crystallography