Data quality metrics extracted from 5kij.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": "0860a5acd916f3c28fbdd8fc4c5e223d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.625,
    "b": 53.830,
    "c": 56.118,
    "alpha": 89.65,
    "beta": 63.60,
    "gamma": 62.70
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.69,1.649],
    "number_observations_unique": 53113,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.691,1.649],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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