We have implemented a procedure that allows the use of non-spherical atomic form factors in a standard crystallographic X-Ray refinement. We outline the procedure for their use, alongside a mathematical justification of their viability.
Cite
@article{arxiv.1911.08847,
title = {Crystallographic Refinement using Non-Spherical Form Factors in olex2.refine},
author = {Laura Midgley and Luc J. Bourhis and Oleg Dolomanov and Norbert Peyerimhoff and Horst Puschmann},
journal= {arXiv preprint arXiv:1911.08847},
year = {2019}
}