Data quality metrics extracted from 9dr4.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": "af43b457cc3706014b8e3aaeb54a847d",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 94.883,
    "b": 94.883,
    "c": 262.532,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.21,1.85],
    "number_observations": 796494,
    "number_observations_unique": 39284,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.239
      },
      {
        "type": "R(meas)",
        "value": 0.245
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 20.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.85],
      "number_observations": 49237,
      "number_observations_unique": 2410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.603
        },
        {
          "type": "R(meas)",
          "value": 3.695
        },
        {
          "type": "R(pim)",
          "value": 0.814
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Redundancy",
          "value": 20.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.526
        }
      ]
    }
  ]

}
  

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


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