On the doublet phase sums of isomorphous data sets

Autor: H. Schenk, R. Peschar, C. E. Kyriakidis
Rok vydání: 1993
Předmět:
Zdroj: Acta Crystallographica Section A Foundations of Crystallography. 49:359-369
ISSN: 0108-7673
DOI: 10.1107/s0108767392009851
Popis: The role of the doublet phase sum present among isomorphous data sets is investigated in connection with the triplet-phase-sum statistics. Several probabilistic and algebraic techniques are discussed to estimate the doublets. The combination of an algebraic estimation technique and a new difference Patterson synthesis, the maxima of which are used to improve iteratively the doublet phase sums, is shown to be successful. Test results for large model structures and idealized protein data show that this technique reduces the triplet-phase-sum errors to a level small enough for ab initio direct-methods applications.
Databáze: OpenAIRE