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Figure 5
Comparison of neutron and X-ray parameters of polar hydrogen atoms for refinements with HAR, TAAM and a model with standardized neutron bond lengths: (a) ΔR – the difference between X-ray and neutron measured bond lengths in mÅ (error bars correspond to the X-ray bond length uncertainties), (b) 〈|ΔUij|〉 – the average absolute difference of ADP tensor components, (c) ADP similarity index S12, (d) as in (a) but the least accurate methods were omitted to improve readability. |
IUCrJ
ISSN: 2052-2525
CHEMISTRY | CRYSTENG
Open
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