Prediction of the space group and cell volume by training a convolutional neural network with primitive `ideal' diffraction profiles and its application to `real' experimental data

Ozaki, H.; Ishida, N.; Kiyobayashi, T.

doi:10.1107/S1600576725002419

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 4
Experimental diffraction profile of Na_2/3(Mn_2/3Ni_1/3)O₂ and the extracted peaks. The diffraction profile was measured with an X-ray diffractometer (X'pert Pro, Malvern Panalytical) using Mo Kα radiation (60 kV, 50 mA). The diffraction profile was recorded at a scanning rate of 1.5° min⁻¹ in the 2θ range of 5–50°.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 58| Part 3| June 2025|

https://doi.org/10.1107/S1600576725002419

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