Dynamical refinement against 3D-ED data in Olex2–AutoChem using the N-Beam approach

Dolomanov, O.; Próchniak, G.; Steć, P.; Meyer, M.; Puschmann, H.

doi:10.1107/S1600576726009064

Figure 2
The profile of the 002 reflection of TyrosineROD with 10 beams (blue). The integration step (orange) is adequate. Note that, due to dynamic interaction with neighbouring beams, the profile is split and wavy. The intensity profile obtained with the kinematic approximation would have a more Gaussian-like shape and would have its maximum intensity at $[S_{g} = 0]$ . With this example, the intensity at $[S_{g} = 0]$ is much smaller than the maximum intensity of this rocking curve.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 6| December 2026|

https://doi.org/10.1107/S1600576726009064

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