TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data

Jha, K.K.; Gruza, B.; Kumar, P.; Chodkiewicz, M.L.; Dominiak, P.M.

doi:10.1107/S2052520620002917

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
Comparison of residual [i.e. peak (+) and hole (−)] electron densities (eÅ⁻³) for the TAAM and IAM refinement at 0.8 Å resolution. Hydrogen atoms were refined with isotropic displacement parameters. TAAM peak and hole are shown in blue while IAM peak and hole are shown in red.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 3| June 2020| Pages 296-306

https://doi.org/10.1107/S2052520620002917

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