Data quality metrics extracted from 1kj4.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": "e3d8f368585b7eb157c7aefa4046c3b1",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 91.651,
    "b": 93.808,
    "c": 118.172,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.88,2.900],
    "number_observations_unique": 12376,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1070000
      },
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 5.0
      }
    ]
  }
}
  

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


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