Abstract
The solution of a crystal structure consists in combining information about the magnitudes of the |f|2’s (obtained from experimental observation of a diffraction experiment) and some other information about the structure to obtain the positions of the atoms within the crystal unit cell. Other facts about the structure, such as thermal motion etc., may be obtained and with restricted data it is true that atomic resolution may not be achieved, but stripped of all else, this statement expresses the fundamental process of structure determination. The important point is that some extra information however meagre has to be added to the diffraction data.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Agarwal, R.C., 1978, A new least-squares refinement technique based on the fast Fourier transform algorithm, Acta, Cryst., A34:791–809.
Beurskens, P.T., Beurskens, G., Strumpel, M. and Nordman, CE. 1987, Automation of rotation fuctions in vector space, in: “Patterson and Pattersons”, J.P. Glusker, B.K. Patterson and M. Rossi, eds., Oxford University Press, New York.
Buerger, M.J., 1951, A new approach to crystal structure analysis, Acta Cryst., 4:531–544.
Buerger, M.J., 1959, “Vector Space”, John-Wiley and Sons Inc. New York.
Doesburg, H.M. and Beurskens, P.T. 1983, Acta Cryst. A39: 368–376.
Egert, E., 1983, Patterson search — an alternative to direct methods, Acta Cryst. A39:936–940.
Egert E., and Sheldrick, G.M. 1985, Search for a fragment of known geometry by integrated Patterson and direct methods, Acta Cryst., A41:262–268.
Harker, D., 1936, The application of the three dimensional Patterson method and the crystal structures of proustite Ag3 AsS3 and pyrargyrite Ag3SbS3 , J. Chem. Phys., 4:381–390.
Main, P., 1976, Recent Developments in the MULTAN System. The Use of Molecular Structures, in “Crystallographic Computing Techniques”, F.R. Ahmed, ed., Munksgaard, Copenhagen.
Nordman, C.E., 1980, Vector space search, in: “Computing and Crystallography” R. Diamond, S. Ramaseshan and K. Venkatesan, eds., The Indian Academy of Sciences, Bangalore.
Patterson, A.L., 1934, A Fourier series method for the determination of the components of interatomic distances in crystals, Phys. Rev. 46:372–376.
Patterson, A.L., 1935, A direct method for the determination of the components of interatomic distances in crystals, Z. Krist., A90:517–542.
Ramachandran, G.N., and Raman, S., 1959, Synthesis for the deconvolution of the Patterson function Part 1 General Principles, Acta. Cryst., 12:957–564.
Richardson, J.W., and Jacobson, R.A., 1987, Computer-aided analysis of multi-solution Patterson superpositions, in: “Patterson and the Pattersons”, J.P. Glusker, E.K. Patterson and M. Rossi, eds., International Union of Crystallography, Oxford University Press.
Rius, J. and Miravitlles, C, 1987, An automated full-symmetry Patterson search method, J. Appl. Cryst., 20:261–264.
Rossmann, M.G., 1972, “The Molecular Replacement Method”, Gordon and Breach, New York.
Rossmann, M.C., and Blow, D.M., 1962, The detection of sub-units within the crystallographic asymmetric unit, Acta. Cryst., 15:24–31.
Schilling, J.W., Hage, L.G., Strumpel, M., and Nordman, C.E., 1981, “Patterson Search Programs — Write up and User’s Guide”, The University of Michigan, Ann Arbor, Michigan.
Siminov, V.I., 1980, Automatic interpretation of the Patterson function, in: “Computing and Crystallography”, R. Diamond, S. Ramaseshan and K. Venkatesan, eds., The Indian Academy of Sciences, Bangalore.
Tollin, P., 1976, Some Patterson interpretation techniques and their application to biologically important structures, in: “Crystallographic Computing Techniques”, F.R. Ahmed, ed., Munksgaard, Copenhagen.
Tollin, P., and Cochran, W., 1964, Patterson function interpretation for structures containing planar groups, Acta Cryst., 17:1332,
Tollin, P., Main, P., and Rossman, M.G., 1966, The symmetry of the rotation function, Acta. Cryst., 20:404 – 407.
Wilson, C.C., 1988, Recent Advances in Reciprocal space Patterson Methods and the PATMET program. S.E.R.C. Rutherford Appleton Laboratory, Didcot, Oxford Publication. RAL-88–087.
Wilson, C.C. 1988, Increasing the size of search fragments for use in Patterson method calculations — the partial-fragment rotation function, Acta. Cryst., A44:478–481.
Wilson, C.C 1989, Practical aspect of the Patterson methods program PATMET, S.E.R.C. Rutherford Appleton Laboratory, Chilton, Didcot, Oxford Publication, RAL-89–125.
Wilson, C.C, 1989, Determination of crystal structures for poor-quality data using Patterson methods, Acta. Cryst., A45:833–839.
Wilson, C.C. 1990, Molecular confirmation determination in unknown crystal structures by Patterson methods, J. Appl. Cryst. (in press).
Wilson, C.C, and Tollin, P., 1988, Improving the interpretation of translation functions by a simple map-correlation procedure, Acta. Cryst., A44:226–230.
Wilson, C.C, and Wadsworth, J.W., 1990, Crystal structure determination from low-resolution X-ray powder diffraction data, Acta. Cryst., A46 (in press).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1991 Springer Science+Business Media New York
About this chapter
Cite this chapter
Tollin, P. (1991). Patterson Methods. In: Schenk, H. (eds) Direct Methods of Solving Crystal Structures. NATO ASI Series, vol 274. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-3692-9_18
Download citation
DOI: https://doi.org/10.1007/978-1-4899-3692-9_18
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4899-3694-3
Online ISBN: 978-1-4899-3692-9
eBook Packages: Springer Book Archive