Data quality metrics extracted from 4k2r.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": "4658065c4c0a230fbda0e95cf0e948d9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.53,
    "b": 53.15,
    "c": 68.96,
    "alpha": 106.10,
    "beta": 93.26,
    "gamma": 104.40
  },
  "wavelengths": [1.11590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.0],
    "number_observations_unique": 11992,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.16,3.0],
      "number_observations_unique": 1759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "I/SigI",
          "value": 2
        },
        {
          "type": "Completeness",
          "value": 94.6
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.000 3.160
High resolution limit [Å] 3.000 3.000
R(merge) - 0.2400
Completeness [%] 95.6 94.6
Multiplicity - 2.2


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
3.160-3.000 0.2400 94.6 2.2