Pattern-matching indexing of Laue and monochromatic serial crystallography data for applications in materials science.

ABSTRACT: Serial crystallography data can be challenging to index, as each frame is processed individually, rather than being processed as a whole like in conventional X-ray single-crystal crystallography. An algorithm has been developed to index still diffraction patterns arising from small-unit-cell samples. The algorithm is based on the matching of reciprocal-lattice vector pairs, as developed for Laue microdiffraction data indexing, combined with three-dimensional pattern matching using a nearest-neighbors approach. As a result, large-bandpass data (e.g. 5-24 keV energy range) and monochromatic data can be processed, the main requirement being prior knowledge of the unit cell. Angles calculated in the vicinity of a few theoretical and experimental reciprocal-lattice vectors are compared,

SUBMITTER: Dejoie C 

PROVIDER: S-EPMC7312145 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature