Data quality metrics extracted from 8cpr.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": "98fa9b9efe7ec756f4b2bfbca3ba6336",
  "space_group_name": "P 3 2 1",
  "unit_cell": {
    "a": 76.413,
    "b": 76.413,
    "c": 55.862,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.686,2.001],
    "number_observations_unique": 9569,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.172
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 8.6
      },
      {
        "type": "Completeness",
        "value": 73.3
      },
      {
        "type": "Redundancy",
        "value": 9.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.146,2.001],
      "number_observations_unique": 478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.155
        },
        {
          "type": "R(meas)",
          "value": 1.222
        },
        {
          "type": "R(pim)",
          "value": 0.394
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.775
        }
      ]
    }
  ]

}
  

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


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