Abstract
A brief survey is given of some maximum-entropy-based approaches to x-ray structure refinement and determination of macromolecules. Particular emphasis is placed on those approaches which primarily seek to operate in direct space and involve combining various types of information. Some comments on current work proceeding along these lines are offered.
In addition, a powerful maximum-entropy-based algorithm for combined background subtraction, deconvolution and filtering of one-dimensional profiles is outlined and illustrative results presented for processing of synchrotron data for energy-dispersive powder diffraction from materials under high pressure.
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References
Steenstrup S. and Wilkins S.W. On information and complementarity in crystal structure determination. Acta Cryst., A40:163–4, 1984.
Skilling J. Classical maximum entropy data analysis. These proceedings.
Steenstrup S. Deconvolution in the presence of noise using the maximum entropy principle. Aust. J. Phys., 38:319–27, 1985.
Woolfson M.M. Direct methods — from birth to maturity. Acta Cryst., A43:593–612, 1987.
Gull S.F. and Danielí G.J. Image reconstruction from incomplete and noisy data. Nature, 272:686–90, 1978.
Collins D.M. Electron density images from imperfect data by iterative entropy maximization. Nature, 298:49–51, 1982.
Wilkins S.W., Varghese J.N., and Lehmann M. S. Statistical geometry I. A self-consistent approach to the crystallographic inversion problem based on information theory. Acta Crys., A39:47–60, 1983.
Bricogne G. Maximum entropy and the foundations of direct methods. Acta Cryst, A40:410–45, 1984.
Navaza J. On the maximum entropy estimate of the electron density function. Acta Cryst, A41:232–44, 1985.
Bryan R.K, Bansal M., Folkhard W., Nave C, and Marvin D.A. Maximum-entropy calculation of the electron density at 4 Å resolution of pfl filamentous bacteriophage. Proc. Natl Acad. Sci. USA, 80:4728–31, 1983.
Wilkins S.W. and Stuart D. Satistical geometry IV. Maximum-entropy-based extension of multiple isomorphously phased x-ray data to 4 A resolution for a-lactalbumin. Acta Cryst, A42:192–202, 1986.
Gull S.F., Livesey A.K., and Sivia D.S. Maximum entropy solution of a small cen-trosymmetric crystal structure. Acta Cryst., A43:112–7, 1987.
Bryan R.K. and Banner D.W. Maximum entropy calculation of electron density with native and single isomorphously phased data. Acta Cryst., A43:556–64, 1987.
Bryan R.K. The maximum entropy method applied to intensity data. Proc. 6th Pfefferkorn Conference, Niagara Falls, May 1987. to appear in Scanning Microscopy Suppl. 2.
Bricogne G. A Bayesian statistical theory of the phase problem I. A multichannel maximum-entropy formalism for constructing generalized joint probability distributions of structure factors. Acta Cryst., A44:517–45, 1988.
Staun Olsen J., Buras B., Gerward L., and Steenstrup S. A spectrometer for x-ray energy-dispersive diffraction using synchrotron radiation. J. Phys. E: Sci. Instrum., 14:1154–7, 1981.
Jayaraman A. Diamond anvil cell and high-pressure physical investigations. Rev. Mod. Phys., 55:65–109, 1983.
Buras B., Niimura N., and Staun Olsen J. Optimum resolution in x-ray energy-dispersive diffractometry. J. Appl. Cryst., 11:137–40, 1978.
Staun Olsen J., Steenstrup S., Johannsen L, and Gerward L. High-pressure studies of the high-temperature superconductors RBa2Cu3O9-d with R: Y, Eu and Ho up to 60 GPa. Z. der Physik. In press.
Steenstrup S. Correction for escape in x-ray spectra measured using a Ge detector. J. Appl Cryst, 16:641–4, 1983.
Steenstrup S. A simple procedure for fitting a background to a certain class of measured spectra. J. Appl. Cryst, 14:226–9, 1981.
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© 1989 Springer Science+Business Media Dordrecht
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Steenstrup, S., Wilkins, S.W. (1989). Maximum-Entropy-Based Approaches to X-ray Structure Determination and Data Processing. In: Skilling, J. (eds) Maximum Entropy and Bayesian Methods. Fundamental Theories of Physics, vol 36. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-7860-8_19
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DOI: https://doi.org/10.1007/978-94-015-7860-8_19
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