Data quality metrics extracted from 3s9h.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": "2a1f01b86ebfc07db12b7bd58a2bc404",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 75.050,
    "b": 119.821,
    "c": 130.791,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.21448],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.0,1.95],
    "number_observations_unique": 83597,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 12.73
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  }
}
  

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


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