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of the scattering density from the corresponding magnitudes. The methods generally exploit constraints or statistical correlations between the phases of different
Fourier components that result from the fact that the scattering density must be a positive real number.
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At present, direct methods are the preferred method for phasing crystals of small molecules having up to 1000 atoms in the asymmetric unit. However, they are generally not feasible by themselves for larger molecules such as
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52:. The Nobel Prize citation was "for their outstanding achievements in the development of direct methods for the determination of crystal structures."
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directly, but not so in three dimensions. The key step was taken by
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Hauptman H (1997). "Phasing methods for protein crystallography".
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are a family of methods for estimating the phases of the
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135:"Advances in direct methods for protein crystallography"
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In two dimensions, it is relatively easy to solve the
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44:, who developed a practical method to employ the
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210:"(IUCr) Crystallographic software list"
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48:for which they were awarded the 1985
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486:Phase transformation crystallography
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77:Direct methods (electron microscopy)
993:Journal of Chemical Crystallography
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110:"The Nobel Prize in Chemistry 1985"
67:packages implement direct methods.
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935:Bilbao Crystallographic Server
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188:10.1016/S0959-440X(97)80077-2
152:10.1016/S0959-440X(99)00020-2
133:UsĂłn I, Sheldrick GM (1999).
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1187:. You can help Knowledge by
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983:Crystal Growth & Design
275:Timeline of crystallography
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794:Nuclear magnetic resonance
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998:Journal of Crystal Growth
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864:Single particle analysis
722:Hermann–Mauguin notation
176:Curr. Opin. Struct. Biol
139:Curr. Opin. Struct. Biol
50:Nobel prize in Chemistry
1239:Materials science stubs
988:Crystallography Reviews
832:Isomorphous replacement
626:Lomer–Cottrell junction
1183:-related article is a
501:Spinodal decomposition
1041:Gregori Aminoff Prize
837:Molecular replacement
87:X-ray crystallography
347:Structure prediction
611:Cottrell atmosphere
591:Partial dislocation
335:Restriction theorem
1031:Carl Hermann Medal
842:Molecular dynamics
689:Defects in diamond
684:Stone–Wales defect
330:Reciprocal lattice
292:Biocrystallography
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732:Thermal ellipsoid
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280:Crystallographers
26:Fourier transform
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852:Phase retrieval
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571:Perfect crystal
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558:Abnormal growth
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469:Miscibility gap
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491:Precipitation
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459:Phase diagram
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34:phase problem
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1189:expanding it
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1083:Associations
1051:Organisation
826:
543:Disclination
474:Polymorphism
437:Quasicrystal
380:Orthorhombic
320:Miller index
268:Key concepts
217:. Retrieved
214:www.iucr.org
213:
204:
179:
175:
169:
145:(5): 643–8.
142:
138:
128:
117:. Retrieved
113:
62:
54:
31:
21:
15:
1036:Ewald Prize
804:Diffraction
782:Diffraction
765:Diffraction
707:Bragg plane
702:Bragg's law
581:Dislocation
496:Segregation
408:Crystallite
325:Point group
1228:Categories
820:Algorithms
809:Scattering
787:Scattering
770:Scattering
638:Slip bands
601:Cross slip
451:transition
385:Tetragonal
375:Monoclinic
287:Metallurgy
219:2020-03-20
119:2020-03-20
93:References
927:Databases
390:Triclinic
370:Hexagonal
310:Unit cell
302:Structure
1140:Category
975:Journals
907:OctaDist
902:JANA2020
874:Software
760:Electron
677:F-center
464:Eutectic
425:Fiveling
420:Twinning
413:Equiaxed
161:10508770
71:See also
65:software
63:Several
58:proteins
38:Hauptman
1152:Commons
1100:Germany
777:Neutron
667:Vacancy
526:Defects
511:GP-zone
357:Systems
196:9345626
1095:France
1090:Europe
1023:Awards
553:Growth
403:Growth
194:
159:
1179:This
1117:Japan
1064:IOBCr
917:SHELX
912:Olex2
799:X-ray
449:Phase
365:Cubic
42:Karle
1185:stub
1059:IUCr
960:ICDD
955:ICSD
940:CCDC
887:Coot
882:CCP4
633:Slip
596:Kink
192:PMID
157:PMID
40:and
1074:DMG
1069:RAS
965:PDB
950:COD
945:CIF
897:DSR
621:GND
548:CSL
184:doi
147:doi
16:In
1230::
1112:US
1105:UK
212:.
190:.
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101:^
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20:,
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186::
180:7
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143:9
122:.
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