Core dictionary (coreCIF)

Hall, Sydney R.; Allen, Frank H.; Brown, I. David; Toby, Brian H.; Hester, James R.; Vaitkus, Antanas; Rowles, Matthew R.; Bollinger, John C.; Rainer, Daniel N.; McMahon, Brian

doi:10.1107/97809553602060001011

RELATED SITES: IUCr | IUCr Journals

International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)

CIF_CORE_HEAD > DIFFRACTION > REFLN

Index

Core dictionary version 3.3.0

_refln.F_squared_calc

Name:
_refln.F_squared_calc

Alias:
_refln_F_squared_calc

Definition:

   
    The structure-factor amplitude squared for the reflection calculated from
    the atom site data.

Type: Real

Definition method:

         If (_diffrn_radiation.probe == "neutron")
                                         _units.code =  "femtometre_squared"
    Else If (_diffrn_radiation.probe == "electron")
                                         _units.code =  "volt_squared"
    Else                                 _units.code =  "electron_squared"

Category:
refln

International Tables for Crystallography (2026). Vol. G. Chapter 4.2
https://doi.org/10.1107/97809553602060001011