Table 2. Data-processing statistics.
Values in parentheses are for the highest resolution bin.
| Data collection | GNNQQNY |
| Wavelength () | 1.454 0.001 |
| Space group | P21 |
| Unit-cell parameters (powder)† | |
| a () | 22.23 0.2 |
| b () | 4.86 |
| c () | 24.15 0.2 |
| () | 90.00 |
| () | 107.32 |
| () | 90.00 |
| Unit-cell parameters (derived)‡ | |
| a () | 22.60 2.3 |
| b () | 4.88 0.1 |
| c () | 24.72 1.7 |
| () | 90.18 1.8 |
| () | 107.40 3.1 |
| () | 89.8 2.1 |
| Resolution () | 23.052.50 (2.592.50) |
| Reflections in total | 2290 (42) |
| I/(I) | 16.7 (10.6) |
| Completeness (%) | 89 (73) |
| Multiplicity | 10.5 (1.6) |
| R work/R free (%) | 34.4/41.5 |
†
Unit-cell parameters derived from the maximum-value composite powder pattern synthesized from 32178 XFEL images. We estimated the error for this calculation to be 1% (see main text for details).
‡
Average of unit cells calculated from 232 indexed GNNQQNY XFEL images. The unit-cell parameters of each individual pattern were computed from the indices and reciprocal-space coordinates of all indexed spots in that pattern.