The influence of space group symmetry, pseudosymmetry and atomic scattering power on the path of the residual

Autor:	Albert T. H. Lenstra
Rok vydání:	2010
Předmět:	Scattering Chemistry Computational chemistry Simple (abstract algebra) Structure (category theory) Patterson function General Chemistry Function (mathematics) Residual Space (mathematics) Molecular physics Coincidence
Zdroj:	Bulletin des Sociétés Chimiques Belges. 88:359-368
ISSN:	0037-9646
DOI:	10.1002/bscb.19790880601
Popis:	The residual ( / is a very useful function in structure evaluation procedures. Using simple properties of the Patterson function algebraic expressions for the residual are derived. It is shown that the numerical value depends on various factors such as the presence of heavy atoms or pseudosymmetry in the structure. It appears that coincidence of interatomic vectors increases the value of the residual. The Influence of the origin peak in the Patterson function on the residual is described.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3aebfbd1d1f0b3f934ea5db5ad1c88ef https://doi.org/10.1002/bscb.19790880601 Zobrazit plný text záznamu