Data quality metrics extracted from 5xkj.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": "c1841e5e2b267065af0adb2532dc4204",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.154,
    "b": 65.601,
    "c": 142.496,
    "alpha": 102.86,
    "beta": 97.60,
    "gamma": 93.58
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.45],
    "number_observations_unique": 29462,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.5993,3.4751],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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