Precision Peak Determination in X-ray Powder Diffraction

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...

Accurate determination of X-ray energies using powder diffraction

We report synchrotron energy determinations using the powder diffraction patterns of Si (640b) and LaB6 (660) standard reference powders at a number of energies between 5 and 20 keV. The fitted peak positions of all peaks recorded on image plates were used in each energy determination. Several sources of systematic error were investigated and their connection led to physically reasonable and co...

X-ray diffraction peak profile analysis of maraged Fe-Ni-Mn steels

X-ray diffraction peak profile analysis was used to identify changes in the lattice distortions during isothermal aging of Fe-10Ni-7Mn (wt. %) maraging steel. Integral peak breadths were analyzed using classical Williamson-Hall equation taking the elastic anisotropy into account. It was found that substantial lattice distortions rise during precipitation hardening which depend strongly on the s...

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...