On single-crystal total scattering data reduction and correction protocols for analysis in direct space

Koch, R.J.; Roth, N.; Liu, Y.; Ivashko, O.; Dippel, A.-C.; Petrovic, C.; Iversen, B.B.; Zimmermann, M. v.; Bozin, E.S.

doi:10.1107/S2053273321010159

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 8
Choice of reciprocal-space sampling grid. (a) An intensity map of a representative slice of reciprocal space with a step size of 0.026 Å⁻¹ (1701 × 1701 × 1701 voxels). Note that, within the inset regions on an enlarged scale, portions of reciprocal space inside the maximum momentum transfer vector of the experiment contain no data (represented by red pixels among other colored pixels). (b) Similar to (a), with a step size of 0.29 Å⁻¹ (151 × 151 × 151 voxels). The insets demonstrate that diffuse features and Bragg peaks now span the same 1–3 voxels, and would be difficult to disentangle during the punch and fill process.

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 77| Part 6| November 2021| Pages 611-636

https://doi.org/10.1107/S2053273321010159

Follow Acta Cryst. A

Search IUCr Journals		doi		Advanced search
Author		volume	page