TY  - JOUR
A1  - Gevorkov, Yaroslav
A1  - Barty, Anton
A1  - Brehm, Wolfgang
A1  - White, Thomas A.
A1  - Tolstikova, Aleksandra
A1  - Wiedorn, Max O.
A1  - Meents, Alke
A1  - Grigat, Rolf-Rainer
A1  - Chapman, Henry N.
A1  - Yefanov, Oleksandr
T1  - pinkIndexer – a universal indexer for pink‐beam X‐ray and electron diffraction snapshots
Y1  - 2020-01-10
VL  - 76
IS  - 2
SP  - 121
EP  - 131
JF  - Acta Crystallographica Section A
DO  - 10.1107/S2053273319015559
DO  - 10.23689/fidgeo-4195
PB  - International Union of Crystallography
N2  - A crystallographic indexing algorithm, pinkIndexer, is presented for the analysis of snapshot diffraction patterns. It can be used in a variety of contexts including measurements made with a monochromatic radiation source, a polychromatic source or with radiation of very short wavelength. As such, the algorithm is particularly suited to automated data processing for two emerging measurement techniques for macromolecular structure determination: serial pink‐beam X‐ray crystallography and serial electron crystallography, which until now lacked reliable programs for analyzing many individual diffraction patterns from crystals of uncorrelated orientation. The algorithm requires approximate knowledge of the unit‐cell parameters of the crystal, but not the wavelengths associated with each Bragg spot. The use of pinkIndexer is demonstrated by obtaining 1005 lattices from a published pink‐beam serial crystallography data set that had previously yielded 140 indexed lattices. Additionally, in tests on experimental serial crystallography diffraction data recorded with quasi‐monochromatic X‐rays and with electrons the algorithm indexed more patterns than other programs tested.
N2  - pinkIndexer, an algorithm developed for indexing of snapshot diffraction patterns recorded with pink‐beam X‐rays, monochromatic X‐rays and electrons, is described and its use evaluated. image
UR  - http://resolver.sub.uni-goettingen.de/purl?gldocs-11858/8535
ER  -