| Parameter | TRL–grease | TRL–F-127 | TRL–grease | BR–LCP–F-127 | BR–LCP |
|---|---|---|---|---|---|
| Nozzle diameter (µm) | 150 | 100 | 100 | 100 | 100 |
| SLS beamline | PXII | PXII | PXII | PXII | PXII |
| Wavelength (Å) | 1.033 | 1.033 | 1.033 | 1.033 | 1.033 |
| Space group | P6122 | P6122 | P6122 | P63 | P63 |
| Unit-cell parameters, a, b, c (Å) | 93.0, 93.0, 130.0 | 93.0, 93.0, 130.2 | 93.1, 93.1, 130.0 | 62.2, 62.2, 110.7 | 62.2, 62.2, 109.6 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| No. collected images | 20456 | 11188 | 18156 | 13285 | 42457 |
| Hit rate (%) | 94 | 55 | 58 | 93 | 98 |
| No. crystal hits/indexed images‡ | 19222/4529 | 6124/4549 | 10533/4529 | 12383/4229 | 41701/4218 |
| Indexing rate§ (%) | 24 | 74 | 43 | 34 | 10 |
| Resolution range | 25.0–2.0 | 25.0–2.0 | 25.0–2.0 | 25.0–2.3 | 25.0–2.3 |
| Completeness (%) | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) |
| Multiplicity | 241.2 (154.9) | 353.3 (217.8) | 277.3 (167.8) | 149.3 (106.4) | 191.6 (130.7) |
| I/σ(I) | 4.9 (3.3) | 5.3 (0.9) | 5.3 (2.3) | 6.5 (2.8) | 6.5 (1.9) |
| R mrgd-F | 23.4 (48.4) | 43.3 (242.7) | 31.0 (89.1) | 24.3 (73.5) | 28.9 (120.1) |
| CC1/2 | 82.3 (59.8) | 92.6 (42.5) | 84.8 (50.5) | 94.3 (67.6) | 94.9 (62.1) |
| Overall Wilson B factor (Å2) | 16.4 | 34.0 | 22.2 | 42.2 | 47.8 |
†
A similar number of randomly chosen images were taken for comparison.
‡
Worse statistics due to the very high stream velocity required for stable flow under the conditions of the experiment.
§
Differences in indexing rates are related to sample preparation. A too-high crystal concentration in the sample resulted in many multiple lattices containing diffraction images in the data set (as manifested by a very high hit rate). These were not always indexed by nXDS, thus giving a low indexing rate.