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Anomalous Scattering
X-PLOR allows one to incorporate the effects of anomalous scattering
into the structure factor calculation. There are only two places
where input files have to be modified: including the imaginary
constant for specification of the appropriate atomic-form factor and
turning off the Hermitian symmetry operation.
The following example illustrates the inclusion of anomalous scattering effects for FE atoms:
Xplor-NIH 2025-03-21