Data quality metrics extracted from 1ttq.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "ef94c7e94f173266ebf71cf5c993c25e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 185.0,
    "b": 61.3,
    "c": 67.7,
    "alpha": 90.0,
    "beta": 94.7,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.0],
    "number_observations_unique": 39626,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "Completeness",
        "value": 77.8
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  }
}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):