Table 1. Statistics of the time-dependent Laue data sets.
| Values | |||||||||||||||
| Δt laser to x-ray | 5 μs | 9 μs | 20 μs | 51 μs | 125 μs | 250 μs | 500 μs | 850 μs | 1 ms | 2 ms | 5 ms | 7 ms | 15 ms | 30 ms | 100 ms |
| dmin,a Å | 1.85 | 1.6 | 1.85 | 1.6 | 1.9 | 1.7 | 1.7 | 1.75 | 1.8 | 1.7 | 1.9 | 1.8 | 1.7 | 1.6 | 1.6 |
| X-ray sourceb | U | W | U | W | U | W | W | U | U | U | U | U | U | W | W |
| Detectorc | CCD | II | CCD | II | IP | IP | IP | CCD | IP | IP | IP | IP | CCD | IP | IP |
| ELaser,d mJ | 3.2 | 2.2 | 3.2 | 2.2 | 4.2 | 4.5 | 4.5 | 2.6 | 4.2 | 4.5 | 4.5 | 3.6 | 3.6 | 4.5 | 4.5 |
| Redundancye | 6.8 | 9.9 | 6.5 | 9.7 | 8.4 | 6.6 | 7.3 | 9.1 | 8.5 | 9.1 | 9.5 | 8.0 | 12.3 | 8.1 | 9.3 |
| Completeness,f % | 83.0 | 80.0 | 81.4 | 80.0 | 82.1 | 87.9 | 87.3 | 85.3 | 81.5 | 87.0 | 88.1 | 80.8 | 88.5 | 86.9 | 87.5 |
| ∞-3.5 Å | 97.0 | 92.2 | 95.3 | 93.4 | 98.6 | 97.8 | 97.0 | 98.0 | 97.6 | 98.3 | 99.0 | 96.5 | 99.0 | 97.9 | 97.7 |
| Last shell | 53.5 | 46.4 | 48.7 | 46.3 | 49.3 | 58.9 | 59.0 | 54.2 | 48.3 | 59.0 | 63.5 | 45.9 | 57.5 | 55.0 | 54.1 |
| Rmerge,g % | |||||||||||||||
| on |F| | 7.5 | 3.8 | 6.8 | 3.8 | 8.2 | 4.4 | 5.7 | 4.8 | 7.4 | 6.3 | 4.7 | 4.9 | 4.1 | 3.6 | 4.0 |
| on |F|2 | 17.2 | 10.2 | 16.8 | 10.3 | 17.0 | 11.0 | 13.5 | 10.9 | 15.7 | 12.8 | 10.6 | 10.9 | 11.5 | 9.2 | 9.8 |
| Reference darkh | 1dk | 2dk | 1dk | 2dk | 3dk | 4dk | 4dk | 5dk | 6dk | 6dk | 6dk | 5dk | 7dk | 4dk | 4dk |
| Rscale,i % | 14 | 15 | 13 | 15 | 9 | 16 | 13 | 7 | 9 | 7 | 8 | 9 | 7 | 8 | 8 |
| 〈|ΔF|〉j | 31.0 | 20.6 | 27.0 | 21.8 | 20.7 | 26.5 | 23.3 | 13.2 | 17.8 | 13.6 | 12.7 | 15.0 | 11.8 | 13.2 | 10.8 |
| 〈 σ〈|Δ|〉 〉k | 5.3 | 9.2 | 5.0 | 9.2 | 12.9 | 10.4 | 5.4 | 7.0 | 5.4 | 5.1 | 6.4 | 8.5 | 7.8 | 7.1 | 7.9 |
| 〈weight〉l | 0.53 | 0.56 | 0.54 | 0.57 | 0.49 | 0.46 | 0.49 | 0.55 | 0.46 | 0.49 | 0.50 | 0.53 | 0.56 | 0.50 | 0.51 |
Resolution limits at ≈50% completeness in the last-resolution shell (≈dmin + 0.1 Å). All difference maps calculated to 1.9-Å resolution.
W, wiggler, U, undulator.
CCD, ADSC Quantum-4 CCD detector; II, Thompson image intensified CCD detector; IP, MAR345 image plate detector.
Energy of laser pulse.
Calculated from single reflections only.
Calculated from all reflections, including harmonics.
Rmerge (|F|) = Σ ||F| - 〈|F|〉|/Σ |F| where 〈|F|〉 is the mean amplitude of multiple observations and symmetry measurements. Rmerge (F2) = Σ ||F|2 - 〈|F|2〉|/Σ |F|2 where 〈|F|2〉 is the mean intensity of multiple observations and symmetry measurements.
Dark data sets used to calculate difference maps; 6dk was also used for the 250- and 500-μs time points, because no dark data were collected on this crystal.
Rscale = Σ ||Ft|2 - |FD|2|/Σ |FD|2 after scaling of the time-dependent (|Ft|) to the dark (|FD|) data sets.
Mean of the absolute difference amplitudes.
Mean error of the difference amplitude.
Average weight for map calculation.