Bayesian reconstruction of P(r) directly from two-dimensional detector images via a Markov chain Monte Carlo method

Journal of Applied Crystallography

Volumn 46, Issue 2, 2013, Pages 404-414

  Paul, Sudeshna ^a   Friedman, Alan M ^a   Bailey Kellogg, Chris ^b   Craig, Bruce A ^a  

^a PURDUE UNIVERSITY   (United States)

^b Dartmouth College   (United States)

Author keywords

Bayesian inference; Markov chain Monte Carlo methods; Small angle neutron scattering; Small angle X ray scattering; structure analysis

Indexed keywords

BAYESIAN INFERENCE; MARKOV CHAIN MONTE CARLO METHOD; SMALL ANGLE X-RAY SCATTERING; SMALL-ANGLE NEUTRON SCATTERING; STRUCTURE ANALYSIS;

BAYESIAN NETWORKS; DETECTORS; ERRORS; ESTIMATION; FOURIER TRANSFORMS; INFERENCE ENGINES; METADATA; MONTE CARLO METHODS; NEUTRON SCATTERING; OPTICAL TRANSFER FUNCTION; TWO DIMENSIONAL;

PARAMETER ESTIMATION;

EID: 84875147714     PISSN: 00218898     EISSN: 16005767     Source Type: Journal    
DOI: 10.1107/S002188981300109X     Document Type: Article

References (25)

1. Besag, J. (1974). J. R. Stat. Soc. Ser. B, 36, 192-236.
2. Bivand, R. (2010). spdep: Spatial Dependence: Weighting Schemes, Statistics and Models. Version 0.4-58. http://cran.r-project.org/web/packages/ spdep.
3. Brooks, S., Gelman, A., Jones, G. & Meng, X.-L. (2011). Editors. Handbook of Markov ChainMonte Carlo. Boca Raton: CRC Press.
4. Cressie, N. A. C. (1993). Statistics for Spatial Data. New York: Wiley- Interscience.
5. Fischetti, R., Stepanov, S., Rosenbaum, G., Barrea, R., Black, E., Gore, D., Heurich, R., Kondrashkina, E., Kropf, A. J., Wang, S., Zhang, K., Irving, T. C. & Bunker, G. B. (2004). J. Synchrotron Rad. 11, 399-405.
6. Furrer, R., Genton, M. G. & Nychka, D. (2006). J. Comput. Graph. Stat. 15, 502-523.
7. Gilks, W. R., Richardson, S. & Spiegelhalter, D. (1995). Markov Chain Monte Carlo in Practice: Interdisciplinary Statistics. Boca Raton: Chapman and Hall, CRC Press.
8. Glatter, O. (1977). J. Appl. Cryst. 10, 415-421.
9. Hansen, S. (2000). J. Appl. Cryst. 33, 1415-1421.
10. Hanson, K. & Cunningham, G. S. (1998). Proc. SPIE, 3338, 371-382.
11. Jacob, P., Robert, C. P. & Smith, M. H. (2011). J. Comput. Graph. Stat. 20, 616-635.
12. Jacques, D. A. & Trewhella, J. (2010). Protein Sci. 19, 642-657.
13. Kavathekar, P. A., Craig, B. A., Friedman, A. M., Bailey-Kellogg, C. & Balkcom, D. J. (2010). J. Bioinf. Comput. Biol. 8, 315-335.
14. Lindsay, B. G. (1988). Contemp. Math. 80, 221-239.
15. Maurus, R., Overall, C. M., Bogumil, R., Luo, Y., Mauk, A. G., Smith, M. & Brayer, G. D. (1997). Biochim. Biophys. Acta, 1341, 1-13.
16. Moore, P. B. (1980). J. Appl. Cryst. 13, 168-175.
17. Phillips, W. C., Stewart, A., Stanton, M., Naday, I. & Ingersoll, C. (2002). J. Synchrotron Rad. 9, 36-43.
18. Shannon, C. E. & Weaver, W. (1949). The Mathematical Theory of Communication. Urbana: University of Illinois Press.
19. Svergun, D. I. & Koch, M. H. J. (2003). Rep. Prog. Phys. 66, 1735-1782.
20. Svergun, D. I., Semenyuk, A. V. & Feigin, L. A. (1988). Acta Cryst. A44, 244-250.
21. Vecchia, A. V. (1988). J. R. Stat. Soc. Ser. B, 50, 297-312.
22. Venzon, D. J. & Moolgavkar, S. H. (1988). Appl. Stat. 37, 87-94.
23. Vestergaard, B. & Hansen, S. (2006). J. Appl. Cryst. 39, 797-804.
24. Wu, N. & Pai, E. F. (2002). J. Biol. Chem. 277, 28080-28087.
25. Zhang, H. & Du, J. (2008). Covariance Tapering in Spatial Statistics, Positive Definite Functions: From Schoenberg to Space-Time Challenges, edited by J. Mateu & E. Porcu. Onda: Gráficas Castañ.