Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data

Shahnazari, A.; Zhang, Z.; Dissanayake, S.E.; Xu, C.; Abdolrahim, N.

doi:10.1107/S1600576726000099

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 6
Confusion matrices of model-4 performance for three enantiomorphic space group pairs, (a) space groups 76 and 78, (b) space groups 92 and 96, and (c) space groups 152 and 154, highlighting misclassification challenges due to chirality.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 1| February 2026| Pages 206-224

https://doi.org/10.1107/S1600576726000099

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