TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic mol­ecules

Kumar, A.; Jha, K.K.; Olech, B.; Goral, T.; Malinska, M.; Woźniak, K.; Dominiak, P.M.

doi:10.1107/S2053229624005357

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 6
Residual electrostatic potential maps of α-glycine after (a) IAM and (b) TAAM refinement against the experimental data at ±0.27 Å⁻² contours (green positive and red negative), and (c) fractal dimension plot for the residual potential of the entire unit cell after IAM (blue open circles) and TAAM (red full circles) refinements.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 80| Part 7| July 2024| Pages 264-277

https://doi.org/10.1107/S2053229624005357

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