Data quality metrics extracted from 7pqr.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": "8e37b2a2be871a29828a700e73ac0e33",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 48.92,
    "b": 48.92,
    "c": 109.78,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.12713],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.920,1.30],
    "number_observations_unique": 63029,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 12.20
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 6.14
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.30],
      "number_observations_unique": 8661,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.25
        },
        {
          "type": "I/SigI",
          "value": 1.09
        },
        {
          "type": "Completeness",
          "value": 93.3
        },
        {
          "type": "Redundancy",
          "value": 3.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.482
        }
      ]
    }
  ]

}
  

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


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