Table 1. Indexing and peak-refinement statistics.
EVAL, consecutive stills | EVAL, all stills | |||||
---|---|---|---|---|---|---|
EVAL, rotation | CrystFEL, all stills | Single unit cell | Unit cell per image | Post-refined | ||
No. of images | 380 | 774 | 380 | 380 | 774 | |
No. of peaks used for indexing | 649 | 300490† | 10728 | 259300† | 289300† | |
No. of peaks used in refinement | 101246 | 217272 | 113418 | 230759 | 396201 | |
Unit-cell parameters | ||||||
a, b () | 78.666 | 78.73579.453 | 78.834 | 78.76579.041 | 78.67979.119 | 78.71979.049 |
c () | 36.819 | 36.81937.481 | 36.842 | 36.70636.906 | 36.70636.989 | 36.81036.980 |
Orientation r.m.s. () | ||||||
a* | 0.028 | 0.102 | 0.103 | |||
b* | 0.038 | 0.108 | 0.095 | |||
c* | 0.035 | 0.107 | 0.111 | |||
Average residuals | ||||||
Horizontal, vertical (mm) | 0.0622 | 0.0884 | 0.0785 | 0.0766 | 0.099 | |
0 () | 0.0390 | 0.1850‡ | 0.1474‡ | 0.1496‡ | 0.173‡ |
Per image.
Average angular deviation of central reciprocal-lattice vector d* with Ewald sphere (see text for explanation).