New frontiers in the structural analysis of nanomaterials: a deep-learning leap to bridge the gap in crystalline order

Mastrolorito, F.; De Feudis, M.; Ciriaco, F.; Caliandro, R.; Nicolotti, O.; Altomare, A.

doi:10.1107/S2052252526008444

Figure 1
Simulated X-ray diffraction profiles of C₁₈H₁₄N₄O₄ (Lee et al., 2011

), calculated by using a full width half-maximum parameter (FWHM) of (a) ∼0.1° and (b) ∼1.0°. The small blue vertical bars correspond to positions of reflections.

IUCrJ

Volume 13| Part 6| November 2026|

ISSN: 2052-2525

https://doi.org/10.1107/S2052252526008444

MATERIALS | COMPUTATION

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