Data quality metrics extracted from 8rr2.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": "52cfa266852c9adee698ddbfb956d8a3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 76.27,
    "b": 79.88,
    "c": 103.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03323],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.71,1.74],
    "number_observations_unique": 65902,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2064
      },
      {
        "type": "R(meas)",
        "value": 0.2847
      },
      {
        "type": "R(pim)",
        "value": 0.0767
      },
      {
        "type": "I/SigI",
        "value": 8.03
      },
      {
        "type": "Completeness",
        "value": 99.83
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.844,1.78],
      "number_observations_unique": 83345,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.62
        },
        {
          "type": "Completeness",
          "value": 99.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.416
        }
      ]
    }
  ]

}
  

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


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