SU-66: combining X-ray powder diffraction, electron diffraction and IR spectroscopy

Combining precession electron diffraction data with X-ray powder diffraction data to facilitate structure solution

Information derived from precession electron diffraction (PED) patterns can be used to advantage in combination with high-resolution X-ray powder diffraction data to solve crystal structures that resist solution from X-ray data alone. PED data have been exploited in two different ways for this purpose: (1) to identify weak reflections and (2) to estimate the phases of the reflections in the pro...

X-Ray Powder Diffraction Metrics

To compare sample data from x-ray diffraction a suitable metric is developed to evaluate the similarity (or dissimilarity) between samples and to compare it to a references. The methodology focuses on the d-lines and uses the intensity measurements indirectly in the algorithm. The resulting d-line distribution and summary statistics of the differences is used to establish whether a true differe...

Two-dimensional X-ray powder diffraction

X-ray powder diffraction on proteins

Macromolecular structures are traditionally determined by means of single crystal X ray diffraction from protein crystals of micrometer dimensions. Nevertheless, the growth of good quality single crystals can be very difficult or even impossible, especially in cases of large proteins, membrane proteins or protein complexes. Modern developments of X-ray powder diffraction have allowed the struct...

Nano-structural Characterization of Post-annealed ZnO Thin Films by X-ray Diffraction and Field Emission Scanning Electron Microscopy

ZnO thin films were deposited on Si(400) substrates by e-beam evaporation technique, and then post-annealed at different annealing temperatures (200-800°C). Dependence of the crystallographic structure, nano-strain, chemical composition and surface physical Morphology of these layers on annealing temperature were studied. The crystallographic structure of films was studied using X-Ray Diffracti...