Data quality metrics extracted from 5kjc.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": "3b726c14fac733aa36820cddc44b99d7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.23,
    "b": 51.25,
    "c": 92.55,
    "alpha": 92.02,
    "beta": 103.01,
    "gamma": 109.88
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.2],
    "number_observations_unique": 216331,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 11.9
      },
      {
        "type": "Completeness",
        "value": 93.6
      },
      {
        "type": "Redundancy",
        "value": 6.88
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.540
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 72.0
        },
        {
          "type": "Redundancy",
          "value": 6.30
        }
      ]
    }
  ]

}
  

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


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