1985Acta Crystallographica Section A Foundations of CrystallographyRequires access

Translation functions: the minimization of structure-independent spurious maxima

D. A. Langs

Open publisher page 5 citations

Abstract

A procedure is described whereby the magnitudes of the structure-independent spurious maxima produced by translation syntheses are minimized. The new method has the advantage that it is applicable to all space groups. Structure-dependent spurious maxima are not as markedly reduced by the new method, but may be confidently suppressed by means of previously described procedures. Translation syntheses for which both sources of spurious maxima have been treated generally possess fewer strong peaks and flatter backgrounds. Trial calculations for test fragments comprising about half of the contents of the asymmetric unit typically produce a single solution vector which may be enhanced to ten times the magnitude of the next largest maxima. The usefulness of these procedures appears to diminish rapidly once the size of the search fragment is reduced to less than a quarter of the contents of the asymmetric unit. The solution vector may not be the largest maxima produced by these smaller fragments, but the translation maps will possess far fewer sizable spurious maxima to be confused with the solution vector than maps which have not been treated to reduce these spurious maxima.

About this research paper

What this paper is about

A procedure is described whereby the magnitudes of the structure-independent spurious maxima produced by translation syntheses are minimized. The new method has the advantage that it is applicable to all space groups. Structure-dependent spurious maxima are not as markedly reduced by the new method, but may be confidently suppressed by means of previously described procedures. Translation syntheses for which both sources of spurious maxima have been treated generally possess fewer strong peaks and flatter backgrounds. Trial calculations for test fragments comprising about half of the contents of the asymmetric unit typically produce a single solution vector which may be enhanced to ten times the magnitude of the next largest maxima. The usefulness of these procedures appears to diminish rapidly once the size of the search fragment is reduced to less than a quarter of the contents of the asymmetric unit. The solution vector may not be the largest maxima produced by these smaller fragments, but the translation maps will possess far fewer sizable spurious maxima to be confused with the solution vector than maps which have not been treated to reduce these spurious maxima.

Why it matters

OpenAlex reports 5 citations for this work. Citation counts describe recorded attention and do not establish research quality.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

A procedure is described whereby the magnitudes of the structure-independent spurious maxima produced by translation syntheses are minimized. The new method has the advantage that it is applicable to all space groups. Structure-dependent spurious maxima are not as markedly reduced by the new method, but may be confidently suppressed by means of previously described procedures. Translation syntheses for which both sources of spurious maxima have been treated generally possess fewer strong peaks and flatter backgrounds. Trial calculations for test fragments comprising about half of the contents of the asymmetric unit typically produce a single solution vector which may be enhanced to ten times the magnitude of the next largest maxima. The usefulness of these procedures appears to diminish rapidly once the size of the search fragment is reduced to less than a quarter of the contents of the asymmetric unit. The solution vector may not be the largest maxima produced by these smaller fragments, but the translation maps will possess far fewer sizable spurious maxima to be confused with the solution vector than maps which have not been treated to reduce these spurious maxima.

Key concepts: Maxima, Spurious relationship, Maxima and minima, Translation (biology), Magnitude (astronomy), Minification, Mathematics, Physics

Related papers

Back to paper searchBrowse research topicsOriginal source
Translation functions: the minimization of structure-independent spurious maxima — Research Paper | ScholarLens