raw_refinement_and_statistical_data.pdf (223.44 MB)
raw_refinement_and_statistical_data.pdf
This is a supplementary document for the publication "Hydrogen atoms can be located accurately and precisely by X-ray crystallography" that was accepted in Science Advances in mid 2016. It summarises the raw data and refinement details for all crystallographic data sets used in that study to validate Hirshfeld Atom Refinement, a new X-ray refinement technique which yields geometric parameters for hydrogen atoms as accurately and precisely as derived from neutron-diffraction data.