Multiparametric scaling of diffraction intensities

Zbyszek Otwinowski, Dominika Borek, Wladyslaw Majewski, Wladek Minor

Research output: Contribution to journalArticle

590 Scopus citations

Abstract

A novel and general approach to scaling diffraction intensities is presented. The method minimizes the disagreement among multiple measurements of symmetry-related reflections using a stable refinement procedure. The scale factors are described by a flexible exponential function that allows different scaling corrections to be chosen and combined according to the needs of the experiment. The scaling model presented here includes: scale and temperature factor per batch of data; temperature factor as a continuous function of the radiation dose; absorption in the crystal; uneven exposure within a single diffraction image; and corrections for phenomena that depend on the diffraction peak position on the detector. This scaling model can be extended to include additional corrections for various instrumental and data-collection problems.

Original languageEnglish (US)
Pages (from-to)228-234
Number of pages7
JournalActa Crystallographica Section A: Foundations of Crystallography
Volume59
Issue number3
DOIs
StatePublished - May 2003

ASJC Scopus subject areas

  • Structural Biology

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