Effects of wrong scale factor on the phases and the electron density computed by the anomalous dispersion method

Singh, AK (1968) Effects of wrong scale factor on the phases and the electron density computed by the anomalous dispersion method. Acta Crystallographica, B24 . pp. 1242-1249.

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Abstract

The effects of a wrong scale factor on the phases computed by the anomalous-dispersion method and on the resulting electron-density map have been considered. The errors introduced in the phases are functions of la(H)-a*(H)I and the scale factor,a(H)and A(H) being the correct phase and the heavy atom phase. The electron density computed with these phases can be expressed as a sum of a number13; of component syntheses of which one is very similar to the correct electron density and another to the synthesis based on the heavy-atom phases. The remaining terms contribute mainly to the background. As a result the electron density computed with a wrong scale contains the structure on an enhanced background. The results have been verified in an example based on an actual case.

Item Type:	Journal Article
Additional Information:	Copyright for this article belongs to Blackwell Synergy
Uncontrolled Keywords:	Electron density computed;Wrong scale factor;Electron density
Subjects:	CHEMISTRY AND MATERIALS > Chemistry and Materials (General)
Division/Department:	Materials Science Division
Depositing User:	M/S ICAST NAL
Date Deposited:	13 May 2008
Last Modified:	17 Jun 2010 11:15
URI:	http://nal-ir.nal.res.in/id/eprint/4709

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