Table 1.
Crystallographic statistics for data obtained using on-chip micro-diffraction Laue analysis of various HEWL crystals.
| Parameter | Microbatch | Counter-Diffusion PMMA/Graph. | |
|---|---|---|---|
| PMMA/Graph. | + COC Film | ||
| Data Collection | |||
|
| |||
| Total # Frames | 55 | 59 | 30 |
| # Frames/Spot | 3 | 4 | 3 |
| Resolution (Å) | 50–1.40 | 50–1.41 | 50–1.46 |
| Space Group | P43212 | P43212 | P43212 |
| Unit Cell (Å) | a=b=79.1, c=37.7 | a=b=79.1, c=37.3 | a=b=79.1, c=37.8 |
|
| |||
| Single Reflections | |||
|
| |||
| Total Obs. | 150,678 | 143,638 | 70,996 |
| Unique Obs. | 18,294 | 17,608 | 15,629 |
| Redundancy | 8.2 | 8.2 | 4.5 |
| Rmerge on F2 | 0.054 | 0.077 | 0.047 |
| Rmerge on F | 0.036 | 0.049 | 0.031 |
| <F/σ(F)> | 63.9 (28.6) | 50.7 (19.9) | 60.4 (33.4) |
|
| |||
| Single and Multiple Reflections Combined | |||
|
| |||
| Completeness (%) | 77.2 (25.1) | 76.6 (28.4) | 74.8 (27.1) |
|
| |||
| Structure Refinement | |||
|
| |||
| Rwork | 0.149 | 0.156 | 0.145 |
| Rfree | 0.163 | 0.176 | 0.167 |
|
| |||
| Ramachandran Statistics | |||
|
| |||
| Favored | 123 (96.9%) | 122 (96.1%) | 122 (96.1%) |
| Allowed | 4 (3.1%) | 5 (3.9%) | 5 (3.9%) |
| Disallowed | 0 (0.0%) | 0 (0.0%) | 0 (0.0%) |
†
Values in parentheses are for the highest integrated resolution shell.