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 5
Observed versus calculated intensity plots for the three L-tyrosine test datasets. (a) TyrosineRAW: synthetic data refined against the generating model, $[R_{1} = 0.10\%]$ . (b) TyrosineCAP: synthetic data processed through CrysAlisPro integration, $[R_{1} = 0.8\%]$ . (c) TyrosineED: real experimental data, $[R_{1}\approx 8\%]$ after dynamical refinement (IAM).

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 6| December 2026|

https://doi.org/10.1107/S1600576726009064

Open

access