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.B_calc

Name:
_refln.B_calc

Alias:
_refln_B_calc

Definition:

   
    The calculated imaginary structure-factor component B =|Fcalc|sin(phase).

Type: Real

Definition method:

              If (_diffrn_radiation.probe == "neutron")
                                              _units.code = "femtometres"
         Else If (_diffrn_radiation.probe == "electron")
                                              _units.code =  "volts"
         Else                                 _units.code =  "electrons"

Evaluation method:

         _refln.B_calc =  Imag ( _refln.F_complex )

Category:
refln

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