Data quality metrics extracted from 8jrb.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": "453241a0455ce165141c8bc62a70e7ff",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 178.826,
    "b": 74.725,
    "c": 129.560,
    "alpha": 90.00,
    "beta": 108.25,
    "gamma": 90.00
  },
  "wavelengths": [0.96900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.91,2.2],
    "number_observations_unique": 80316,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 15.5
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 4.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.2],
      "number_observations_unique": 4294,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.505
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.669
        }
      ]
    }
  ]

}
  

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


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