Round robin on structure analysis from 3D electron diffraction data

Gemmi, M.; Palatinus, L.; Boullay, P.; Abrahams, J.P.; Ben Meriem, A.; Cordero-Oyonarte, E.; Emerson Agbemeh, V.; Chintakindi, H.; Faye Diouf, M.D.; Filipcik, P.; Gemmrich Hernandéz, L.; van Genderen, E.; Hadermann, J.; Hajizadeh, A.; Jeriga, B.; Kolb, U.; Matinyan, S.; Passuti, S.; Santucci, M.; Suresh, A.; Pérez, O.; Tai, C.-W.; Vypritskaia, A.; Wang, L.; Xu, H.; Zou, X.

doi:10.1107/S205225252600045X

Figure 3
Plots of the average deviation from the reference structure versus the R1(obs) agreement factors of the refinements for epidote, natrolite and ibuprofen. Both kinematical (blue dots) and dynamical (orange dots) refinement data are reported. Dashed lines connect pairs of points corresponding to the kinematical and dynamical refinement from the same data.

IUCrJ

Volume 13| Part 2| March 2026| Pages 198-210

ISSN: 2052-2525

https://doi.org/10.1107/S205225252600045X

ELECTRON CRYSTALLOGRAPHY

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