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. 2021 Nov 30;54(Pt 6):1799–1810. doi: 10.1107/S1600576721010840

Table 2. MAPE for 1D-CNNs for each crystal system.

Null prediction refers to a MAPE prediction based on the mean lattice parameters of the data set. ML full corresponds to the prediction from the 1D-CNN models for 0–90° in 2θ. ML reduced corresponds to the prediction from the 1D-CNN models for 0–30° in 2θ.

Symmetry Null prediction ML prediction full Ratio 1 ML prediction reduced Ratio 2 Training data set size
Cubic 51.49 7.55 6.8 4.08 12.6 30 705
Hexagonal 47.37 7.35 6.4 8.94 5.3 17 842
Trigonal 46.58 15.72 3.0 15.30 3.0 25 784
Tetragonal 48.77 11.56 4.2 9.09 5.4 37 183
Orthorhombic 29.94 10.06 3.0 12.92 2.3 161 087
Monoclinic 24.76 11.79 2.1 11.23 2.2 445 708
Triclinic 20.06 3.11 6.5 2.68 7.5 243 651