Aspherical scattering factors for SHELXL – model, implementation and application

Lübben, J.; Wandtke, C.M.; Hübschle, C.B.; Ruf, M.; Sheldrick, G.M.; Dittrich, B.

doi:10.1107/S2053273318013840

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 3
Left: xylitol (sh5011) residual IAM density at ISO level 0.1 e Å⁻³. Center: BODD deformation density added to the IAM. Right: remaining residual density after adding the BODD deformations. IAM $[\Delta\rho_{\max}]$ / $[\Delta\rho_{\min}]$ = 0.33/−0.20; BODD $[\Delta\rho_{\max}]$ / $[\Delta\rho_{\min}]$ = 0.23/−0.22.

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 75| Part 1| January 2019| Pages 50-62

https://doi.org/10.1107/S2053273318013840

Open

access

Follow Acta Cryst. A

Search IUCr Journals		doi		Advanced search
Author		volume	page