Data quality metrics extracted from 4r4a.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": "f2669f94cf7ac7ef1f8c307e0a2c3d67",
  "space_group_name": "P -1",
  "unit_cell": {
    "a": 26.286,
    "b": 32.352,
    "c": 33.500,
    "alpha": 62.25,
    "beta": 73.14,
    "gamma": 68.56
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.33,1.49],
    "number_observations_unique": 14025,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0480
      },
      {
        "type": "I/SigI",
        "value": 10.81
      },
      {
        "type": "Completeness",
        "value": 95.38
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.49],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.57
        }
      ]
    }
  ]

}
  

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


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