Data quality metrics extracted from 4j4y.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": "fbee14c87c74a64724836a29bafeb6b7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.160,
    "b": 76.798,
    "c": 77.156,
    "alpha": 82.79,
    "beta": 69.51,
    "gamma": 69.36
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.83,2.45],
    "number_observations_unique": 35932,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.7
        }
      ]
    }
  ]

}
  

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


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