Advances in long-wavelength native phasing at X-ray free-electron lasers

Nass, K.; Cheng, R.; Vera, L.; Mozzanica, A.; Redford, S.; Ozerov, D.; Basu, S.; James, D.; Knopp, G.; Cirelli, C.; Martiel, I.; Casadei, C.; Weinert, T.; Nogly, P.; Skopintsev, P.; Usov, I.; Leonarski, F.; Geng, T.; Rappas, M.; Doré, A.S.; Cooke, R.; Nasrollahi Shirazi, S.; Dworkowski, F.; Sharpe, M.; Olieric, N.; Bacellar, C.; Bohinc, R.; Steinmetz, M.O.; Schertler, G.; Abela, R.; Patthey, L.; Schmitt, B.; Hennig, M.; Standfuss, J.; Wang, M.; Milne, C.J.

doi:10.1107/S2052252520011379

Figure 3
Comparison of the anomalous signal strength (S_ano) and anomalous correlation coefficient (CC_ano) for thaumatin at 4.57 keV. (a) Data sets with different numbers of images were processed using old and new versions of partialator from the CrystFEL software suite, with and without post-refinement and partiality correction. S_ano is significantly larger when the newer version of post-refinement and partiality correction is used (green circles), as compared with the older version (purple triangles) and the newer version with only scaling (orange squares). (b) Similarly, CC_ano from 50 000 randomly selected thaumatin 4.57 keV diffraction images is higher when the newer version of CrystFEL with post-refinement and partiality correction is used on the same data set (green circles).

IUCrJ

Volume 7| Part 6| November 2020| Pages 965-975

ISSN: 2052-2525

https://doi.org/10.1107/S2052252520011379

PHYSICS | FELS

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