Data quality metrics extracted from 4j4x.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": "c9e53dbf02ffdbc5edb33b0207e305eb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.289,
    "b": 96.337,
    "c": 100.800,
    "alpha": 64.57,
    "beta": 81.72,
    "gamma": 85.10
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.64,2.51],
    "number_observations_unique": 54500,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.51],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.2
        }
      ]
    }
  ]

}
  

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


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