Holographic methods in X-ray crystallography. III. First numerical results

Autor: Alan S. Stern, Jeffrey C. Hoch, H. Szöke, A. Szöke, G. J. Maalouf
Rok vydání: 1993
Předmět:
Zdroj: Acta Crystallographica Section A Foundations of Crystallography. 49:866-871
ISSN: 0108-7673
DOI: 10.1107/s0108767393004064
Popis: The holographic method for the completion of crystal structures, described in paper II [Szöke (1993). Acta Cryst. A49, 853–866], is implemented numerically. The purpose of these modest calculations is to show that the holographic method can handle real crystallographic data in easy problems and to test various algorithms for its implementation. Both synthetic and experimental data are used and sources of error are systematically introduced. The numerical experiments support the theory presented in paper II and show that the holographic method may be a potentially viable alternative to conventional methods for the completion of crystal structures.
Databáze: OpenAIRE