Powder X-ray diffraction applications with single-crystal diffractometers

X-ray single crystal and powder diffraction: possibilities and applications

In this article the main possibilities of single crystal and powder diffraction analysis using conventional laboratory x-ray sources are introduced. Several examples of applications with different solid samples and in different fields of applications are shown illustrating the multidisciplinary capabilities of both techniques. Handbook of instrumental techniques from CCiTUB X-ray single crystal...

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...

X-ray Powder Diffraction Pattern Indexing for Pharmaceutical Applications

Crystal-structure determination using X-ray diffraction from single crystals is a well-developed technique (1). A single crystal structure provides full structural characterization of the form at the atomic scale. The main drawback to single crystal diffraction is the need to grow a sufficiently large and defect-free crystal for analysis, which is not practical for all crystal forms. Furthermor...

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...