Table 2. Parameters for auto-indexing of DOR SFX data using indexamajig, calling DirAx, MOSFLM and SPIND as subroutines.
| Indexer | Reference cell | indexamajig orientation refinement | Unit-cell tolerance (vector-search tolerance in SPIND) | Radii of peak integration and background rings (pixels) | No. of indexed patterns (indexing rate %) |
|---|---|---|---|---|---|
| DirAx | Yes | Yes | 5%, 1.5° | 3, 4, 5 | 65015 (51.8) |
| MOSFLM | Yes | Yes | 5%, 1.5° | 3, 4, 5 | 57687 (45.9) |
| MOSFLM | No | Yes | 5%, 1.5° | 3, 4, 5 | 57413 (45.7) |
| SPIND | Yes | Yes | 5%, 1.5° (3 × 107 m−1, 3°, reference resolution > 8 Å) | 3, 4, 5 | 67204 (53.5) |
| SPIND | Yes | No | 5%, 1.5° (3 × 107 m−1, 3°, reference resolution > 8 Å) | 3, 4, 5 | 118514 (94.4) |