Data quality metrics extracted from 4j4s.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": "441e9158bafe6e0fc1f8503870430cab",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 95.489,
    "b": 108.479,
    "c": 221.408,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.81,2.442],
    "number_observations_unique": 43028,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.92
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.50,2.45],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 73.0
        }
      ]
    }
  ]

}
  

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


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