Data quality metrics extracted from 5k2j.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": "b9cdc63337b48f3ec7d6073b73815644",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 75.080,
    "b": 97.725,
    "c": 97.492,
    "alpha": 78.72,
    "beta": 67.33,
    "gamma": 67.34
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.900],
    "number_observations_unique": 182028,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 90.0
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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