Data quality metrics extracted from 4j1j.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": "2a6268d76e8bc301039e626a40d59ee6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.403,
    "b": 73.199,
    "c": 77.905,
    "alpha": 70.89,
    "beta": 82.54,
    "gamma": 73.73
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.33,2.65],
    "number_observations_unique": 27429,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.0
        }
      ]
    }
  ]

}
  

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


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