Chapter/Index: Introduction | A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z | Appendix
| Accurate structure factor intensities can be obtained for all reflections from single crystal X-ray diffractions. Determination of crystal structure factor phases can be done through direct methods, Patterson method, charge-flipping algorithm or maximum entropy method, in combination with single crystal X-ray diffraction. The overlapping problem of powder X-ray diffraction (PXRD) can be partially solved through the fast iterative Patterson squaring (FIPS), [1] repartitioning by histogram matching in a charge-flipping algorithm [2] or other methods.
[1] M. A. Estermann, L. B. McCusker and Ch. Baerlocher, J. Appl.
Crystallogr., 1992, 25, 539; M. A. Estermann and V. Gramlich, J. Appl.
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