The single-atom R1: a new optimization method to solve crystal structures

Zhang, X.; Donahue, J.P.

doi:10.1107/S2053273324001554

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 1
The models of sample 1. Top panel: the correct model. Middle panel: the resulting model via global minimization calculation that allows clustering ghost atoms. Bottom panel: the resulting model via global minimization calculation that excludes clustering ghost atoms.

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ISSN: 2053-2733

Volume 80| Part 3| May 2024| Pages 237-248

https://doi.org/10.1107/S2053273324001554

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