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Application of the sparse density principle: a statistical evaluation of the phase ambiguity in the single-wavelength anomalous scattering method (SAS)

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 206 Issue 1

Abstract

The method of single-wavelength anomalous scattering (SAS) allows the determination of structure-factor phases apart from a two-fold phase ambiguity. A statistical procedure is described, based on the joint probability distribution of three structure-factors, in which a priori the influence of partial structural information is introduced (Giacovazzo, C., Acta Crystallogr. A39 (1983) 685–692), which permits to calculate the relative probabilities of the two SAS solutions for each phase. The relation of this procedure with the sparse density principle (i.e. the assumption that ϱ(r)ϱ(−r) ≈ 0) is indicated. A possible application is the use of extra structural information, e.g. information on atomic positions in a protein backbone, in the course of a protein crystal structure determination.

Published Online: 2010-7-28
Published in Print: 1993-1-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. The crystal structure of TlCr3S5: A redetermination
  2. Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2: Variation of the hydrogen bond system in the natrochalcite-type series
  3. Induced ferrielectricity in chlorapatite
  4. Crystal structure of K2ZnSi3O8
  5. Application of Direct Methods to powder data. A weighting scheme for intensities in the optimal symbolic addition program SIMPEL88
  6. Application of the sparse density principle: a statistical evaluation of the phase ambiguity in the single-wavelength anomalous scattering method (SAS)
  7. Solving a 3-dimensional quasicrystal structure in 6-dimensional space using the direct method
  8. Crystal structure of methylammonium hexachloromolybdate(III) chloride and dimethylammonium hexachloromolybdate(III) chloride
  9. The crystal and molecular structure of terguride monohydrate
  10. The structure of solid CF3I
  11. The structure of 1,2-μ-[bis(diphenylarsino)methane-As,As′]-1,1,1,2,2,2,3,3,3,3,-decacarbonyl-triangulo-triruthenium(0)
  12. Crystal structure of tetrapotassium decaselenido-tetragermanate, K4[Ge4Se10]
  13. Crystal structure of trialuminium trihydroxo disilicate, Al3Si2O7(OH)3
  14. Crystal structure of 2,2′-bipyridine-oxide-(l′-H) perrhenate, (C10H9N2O)(ReO4)
  15. Crystal structure of samarium platinum germanium, Sm(Pt0.53Ge0.47)
  16. Crystal structure of (Z)-1,2-di-9-anthrylethenol, C30H20O
  17. Crystal structure of methyl 9-anthrylglyoxylate, C17H12O3
  18. Crystal structure of a 10-hydroperoxy derivative of 9-anthrone: (Z)-1,2-dihydroxy-1,2-di-9-anthryl-ethene ketal, C44H28O4
  19. Crystal structure of α-(9-anthroyl)-α-(9-anthryloxy)-9-hydroperoxy-10-methylene-9,10-dihydroanthracene etherate, (C44H28O4)(C4H10O)
  20. Crystal structure of 9,10-anthraquinone mono-ketal of (Z)-1,2-dihydroxy-1,2-di-9-anthryl-ethene, C44H26O3
  21. Crystal structure of α-(9-anthroyl)-α-(9-anthryloxy)-10-methyleneanthrone, C44H26O3
  22. Crystal structure of a 10-hydroxy derivative of 9-anthrone: (Z)-1,2-dihydroxy-1,2-di-9-anthrylethene ketal, C44H28O3
  23. Crystal structure of (Z)-1,2-di-anthryl-1,2-dimethoxyethylene, C32H24O2
  24. Crystal structure of hexapotassium triarsenidoindate, K6InAs3
  25. Crystal structure of hexasodium triphosphidogallate, Na6GaP3
  26. Crystal structure of hexasodium triarsenidogallate, Na6GaAs3
  27. Crystal structure of 4-nitro-5-chloro-imidazole, C3H2CIN3O2
  28. Crystal structure of 9-methoxyanthracene, C15H12O
  29. Crystal structure of 9-methoxy-10-methylanthracene, C16H14O
  30. Crystal structure of 1-acetylanthracene, C16H12O
  31. Crystal structure of 1,2-bis(10-methoxy-9-anthryl)ethane, C32H26O2
https://doi.org/10.1524/zkri.1993.206.Part-1.45

Articles in the same Issue

  1. The crystal structure of TlCr3S5: A redetermination
  2. Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2: Variation of the hydrogen bond system in the natrochalcite-type series
  3. Induced ferrielectricity in chlorapatite
  4. Crystal structure of K2ZnSi3O8
  5. Application of Direct Methods to powder data. A weighting scheme for intensities in the optimal symbolic addition program SIMPEL88
  6. Application of the sparse density principle: a statistical evaluation of the phase ambiguity in the single-wavelength anomalous scattering method (SAS)
  7. Solving a 3-dimensional quasicrystal structure in 6-dimensional space using the direct method
  8. Crystal structure of methylammonium hexachloromolybdate(III) chloride and dimethylammonium hexachloromolybdate(III) chloride
  9. The crystal and molecular structure of terguride monohydrate
  10. The structure of solid CF3I
  11. The structure of 1,2-μ-[bis(diphenylarsino)methane-As,As′]-1,1,1,2,2,2,3,3,3,3,-decacarbonyl-triangulo-triruthenium(0)
  12. Crystal structure of tetrapotassium decaselenido-tetragermanate, K4[Ge4Se10]
  13. Crystal structure of trialuminium trihydroxo disilicate, Al3Si2O7(OH)3
  14. Crystal structure of 2,2′-bipyridine-oxide-(l′-H) perrhenate, (C10H9N2O)(ReO4)
  15. Crystal structure of samarium platinum germanium, Sm(Pt0.53Ge0.47)
  16. Crystal structure of (Z)-1,2-di-9-anthrylethenol, C30H20O
  17. Crystal structure of methyl 9-anthrylglyoxylate, C17H12O3
  18. Crystal structure of a 10-hydroperoxy derivative of 9-anthrone: (Z)-1,2-dihydroxy-1,2-di-9-anthryl-ethene ketal, C44H28O4
  19. Crystal structure of α-(9-anthroyl)-α-(9-anthryloxy)-9-hydroperoxy-10-methylene-9,10-dihydroanthracene etherate, (C44H28O4)(C4H10O)
  20. Crystal structure of 9,10-anthraquinone mono-ketal of (Z)-1,2-dihydroxy-1,2-di-9-anthryl-ethene, C44H26O3
  21. Crystal structure of α-(9-anthroyl)-α-(9-anthryloxy)-10-methyleneanthrone, C44H26O3
  22. Crystal structure of a 10-hydroxy derivative of 9-anthrone: (Z)-1,2-dihydroxy-1,2-di-9-anthrylethene ketal, C44H28O3
  23. Crystal structure of (Z)-1,2-di-anthryl-1,2-dimethoxyethylene, C32H24O2
  24. Crystal structure of hexapotassium triarsenidoindate, K6InAs3
  25. Crystal structure of hexasodium triphosphidogallate, Na6GaP3
  26. Crystal structure of hexasodium triarsenidogallate, Na6GaAs3
  27. Crystal structure of 4-nitro-5-chloro-imidazole, C3H2CIN3O2
  28. Crystal structure of 9-methoxyanthracene, C15H12O
  29. Crystal structure of 9-methoxy-10-methylanthracene, C16H14O
  30. Crystal structure of 1-acetylanthracene, C16H12O
  31. Crystal structure of 1,2-bis(10-methoxy-9-anthryl)ethane, C32H26O2
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