Multiparametric scaling of diffraction intensities
Acta Crystallographica Section A
Volume 59, Issue 3, pages 228–234, May 2003
How to Cite
Otwinowski, Z., Borek, D., Majewski, W. and Minor, W. (2003), Multiparametric scaling of diffraction intensities. Acta Cryst. A, 59: 228–234. doi: 10.1107/S0108767303005488
- exponential modelling.
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.