From atoms to a data bank: optimizing transferability of electron-density symmetry

Rybicka, P.M.; Kulik, M.; Ignat'ev, V.; Dominiak, P.M.

doi:10.1107/S2053273326004651

Acta Crystallographica Section A
Acta Crystallographica
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Figure 2
GMM analysis of P_lm in the Z (x1,x2) Y x1 LCS type (20500 individual LCS orientations) for the 3p-C subgroup. Three exemplary P_lm parameters are shown on the left: $[{P_{1 - 1}}]$ which deviates from a normal Gaussian shape, P₂₁ which follows a normal Gaussian shape, and P₃₂ with a global maximum far from zero. The right side of the figure presents a ridgeplot of P_lm and the section of the data fulfilling the condition $[| {{P_{lm}}} | \le 0.010]$ is marked in gray.

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ISSN: 2053-2733

Volume 82| Part 4| July 2026|

https://doi.org/10.1107/S2053273326004651

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