Data quality metrics extracted from 4r16.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": "bdb87e3dd030d724a1e9cb481f005dc1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.03,
    "b": 74.65,
    "c": 73.56,
    "alpha": 66.2,
    "beta": 70.4,
    "gamma": 75.2
  },
  "wavelengths": [0.93110,0.97210,0.95210],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.55],
    "number_observations_unique": 135913,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    }
  ]

}
  

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


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