Use of intensity quotients and differences in absolute structure refinement

Several methods for absolute structure refinement were tested using single‐crystal X‐ray diffraction data collected using Cu Kα radiation for 23 crystals with no element heavier than oxygen: conventional refinement using an inversion twin model, estimation using intensity quotients in SHELXL2012, es...

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Veröffentlicht in:	Acta crystallographica Section B, Structural science, crystal engineering and materials Structural science, crystal engineering and materials, 2013-06, Vol.69 (3), p.249-259
Hauptverfasser:	Parsons, Simon, Flack, Howard D., Wagner, Trixie
Format:	Artikel
Sprache:	eng
Schlagworte:	absolute structure refinement Alanine - chemistry Bayes Theorem Chemical elements Constraints Crystal structure Crystallization Crystallography Crystallography, X-Ray - methods Crystals Diffraction Glutamine - chemistry Hydrocarbons intensity quotients Mandelic Acids - chemistry Mathematical models Molecular Structure Quotients Research Papers Scientific method X-ray diffraction X-rays
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