The Direct Methods of X-ray Crystallography
- 11 July 1986
- journal article
- research article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 233 (4760) , 178-183
- https://doi.org/10.1126/science.233.4760.178
Abstract
The electron density function ρ(r) in a crystal determines its diffraction pattern, that is, both the magnitudes and phases of its x-ray diffraction maxima, and conversely. If, however, as is always the case, only magnitudes are available from the diffraction experiment, then the density function ρ(r) cannot be recovered. If one invokes prior structural knowledge, usually that the crystal is composed of discrete atoms of known atomic numbers, then the observed magnitudes are, in general, sufficient to determine the positions of the atoms, that is, the crystal structure.Keywords
This publication has 24 references indexed in Scilit:
- The extension concept and its role in the probabilistic theory of the structure seminvariantsActa Crystallographica Section A, 1978
- The structure of chaetoglobosin A: a novel use of quartet invariantsActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1978
- Solving structures with quartets: the least-squares analysis of quartet invariants in space groupP1Acta Crystallographica Section A, 1977
- Probabilistic theory of the structure invariants: extension to the unequal atom case with application to neutron diffractionActa Crystallographica Section A, 1976
- An example of the use of quartet and triplet structure invariants when enantiomorph discrimination is difficultActa Crystallographica Section A, 1976
- A joint probability distribution of seven structure factorsActa Crystallographica Section A, 1975
- Least-squares phase refinement. II. High-resolution phasing of a small proteinActa Crystallographica Section A, 1974
- On least-squares refinement of the phases of crystallographic structure factorsActa Crystallographica Section A, 1972
- Seminvariants for centrosymmetric space group with conventional centered cellsActa Crystallographica, 1959
- The squaring method: a new method for phase determinationActa Crystallographica, 1952