Data quality metrics extracted from 4xtk.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": "c301bec7bec60e203ef2c19e42d69d7a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.277,
    "b": 94.555,
    "c": 106.390,
    "alpha": 93.03,
    "beta": 115.06,
    "gamma": 102.97
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.90,2.70],
    "number_observations_unique": 83703,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 11.70
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 3.90
      }
    ]
  }
}
  

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


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