Closely follows an actual structural determination. After some introductory material on the nature of x-rays, the diffraction process and the internal geometry of crystals, the selection and preparation of a crystal are considered. Techniques of measuring raw x-ray data are covered, plus their reduction into a useable form. The second part discusses both traditional and novel methods of solving the ``phase'' problem, the principal difficulty in x-ray structure determination. The third part considers how to extract the most information from the data and how to evaluate its reliability. Finally, there is a discussion of sources of error in practice and interpretation.
- Diffraction of X-Rays.
- Crystals, Symmetry and Space Groups.
- Crystals and Their Properties.
- Geometric Data Collection.
- Intensity Data Collection.
- Data Reduction.
- Theory of Structure Factors and Fourier Syntheses.
- Calculation of Structure Factors and Fourier Syntheses.
The Phase Problem.
- The Phase Problem.
- Direct Methods.
- Patterson Methods.
- Heavy Atom Methods.
- Search Methods.
- Completing the Structure.
Refinement and Results.
- Refinement of Crystal Structures.
- Random and Systematic Errors.
- Derived Results.
- Ambiguities and Uncertainties.