Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5Ca0.5MnO3 powder Academic Article uri icon


  • We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr0.5Ca0.5MnO3 in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data.


  • Beyerlein, Kenneth R
  • Jooss, Christian
  • Barty, Anton
  • Bean, Richard
  • Boutet, Sébastien
  • Dhesi, Sarnjeet S
  • Doak, R Bruce
  • Först, Michael
  • Galli, Lorenzo
  • Kirian, Richard A
  • Kozak, Joseph
  • Lang, Michael
  • Mankowsky, Roman
  • Messerschmidt, Marc
  • Spence, John CH
  • Wang, Dingjie
  • Weierstall, Uwe
  • White, Thomas A
  • Williams, Garth J
  • Yefanov, Oleksandr
  • Zatsepin, Nadia A
  • Cavalleri, Andrea
  • Chapman, Henry N

publication date

  • 2015