Data quality metrics extracted from 4jkn.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": "32a647a19381d44ed76aaf81332f16b0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 56.483,
    "b": 79.228,
    "c": 109.576,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.240,1.536],
    "number_observations_unique": 73480,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.536],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.3
        }
      ]
    }
  ]

}
  

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


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