Warning: We observe an increase of emails from fake travel portals like . "travelhosting.co.uk". We never send links to such portals so be vigilant!

14–17 Mar 2022
Europe/Berlin timezone

Quantum crystallographic evaluation of the YLID crystal structure; reconsidering data quality

VC Room link
/redirectVC/3078
15 Mar 2022, 16:15
2h
Poster Theory, simulation, modeling, computational crystallography Postersession

Speaker

Yaser Balmohammadi

Description

YLID crystals have been used as test crystals for X-ray diffractometers. But, no charge density evaluation has been performed for this crystal. It is certainly more meaningful if we compare, e.g., hydrogen anisotropic displacement parameters and the residual density distribution to evaluate our diffractometer. So, for data quality evaluation of a diffractometer, quantum crystallographic procedures are helpful.

Primary authors

Lorraine A. Malaspina (Bern University) Yaser Balmohammadi Milosz Siczek (University of Wroclaw) Simon Grabowsky (University of Bern)

Presentation materials