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References (11)
-
S. Fortier, M. Fraser, N. Moore (1986)
On the number of ambiguities in direct methods – anomalous scattering estimates of the two‐ and three‐phase structure invariantsActa Crystallographica Section A, 42
-
Charles Weeks, G. DeTitta, H. Hauptman, P. Thuman, Russ Miller (1994)
Structure solution by minimal-function phase refinement and Fourier filtering. II. Implementation and applications.Acta crystallographica. Section A, Foundations of crystallography, 50 ( Pt 2)
-
H. Hauptman, J. Karle (1958)
Phase determination from new joint probability distribution: space group P1Acta Crystallographica, 11
-
H. Hauptman (1982)
On integrating the techniques of direct methods with anomalous dispersion. I. The theoretical basisActa Crystallographica Section A, 38
-
H. Hauptman (1982)
On integrating the techniques of direct methods and isomorphous replacement. I. The theoretical basisActa Crystallographica Section A, 38
-
W. Furey, K. Chandrasekhar, F. Dyda, M. Sax (1990)
Direct methods with single isomorphous replacement data. I. Reduction of systematic errors.Acta crystallographica. Section A, Foundations of crystallography, 46 ( Pt 7)
-
S. Fortier, N. Moore, M. Fraser (1985)
A direct‐methods solution to the phase problem in the single isomorphous replacement case: theoretical basis and initial applicationsActa Crystallographica Section A, 41
-
H. Fan, F. Han, Jz Qian, J.-x. Yao (1984)
Combining Direct Methods with Isomorphous Replacement or Anomalous Scattering Data. IActa Crystallographica Section A, 40
-
C. Giacovazzo, G. Cascarano, Z. Chao-de (1988)
On integrating the techniques of direct methods and isomorphous replacement. A new probabilistic formula for triplet invariantsActa Crystallographica Section A, 44
-
C. Giacovazzo, D. Siliqi (2001)
The method of joint probability distribution functions applied to MAD techniques. The two-wavelength case for acentric crystals.Acta crystallographica. Section A, Foundations of crystallography, 57 Pt 6
-
C. Giacovazzo (1983)
The estimation of two-phase and three-phase invariants in P1 when anomalous scatterers are presentActa Crystallographica Section A, 39
- Publisher
- Wiley
- Copyright
- Copyright © 2003 Wiley Subscription Services, Inc., A Wiley Company
- ISSN
- 0108-7673
- eISSN
- 1600-5724
- DOI
- 10.1107/S0108767302022304
- Publisher site
- See Article on Publisher Site
Abstract
The mathematical formalism of direct methods is here applied to the SIRAS (single‐isomorphous replacement combined with anomalous scattering) case. Specifically, the joint probability distribution of three structure factors, which plays the central role in the probabilistic theory of the two‐phase structure invariants (doublets), is derived. This distribution leads directly to the conditional probability distribution of the two‐phase structure invariants, given the values of selected sets of magnitudes. Furthermore, a probabilistic formula for estimating individual phases of the derivative structure is derived, provided that the heavy‐atom substructure is assumed to be known. The formulas were tested for experimental SIRAS data and results are reported.
Journal
Acta Crystallographica Section A Foundations of Crystallography – Wiley
Published: Jan 1, 2003
Keywords: ; ; ;