Data quality metrics extracted from 8f30.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": "e29499a3c92c40494ac164b90c3fefe6",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 119.207,
    "b": 179.758,
    "c": 234.695,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.57,3.10],
    "number_observations": 640118,
    "number_observations_unique": 45927,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.231
      },
      {
        "type": "R(meas)",
        "value": 0.240
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 10.4
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 13.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.10],
      "number_observations": 65117,
      "number_observations_unique": 4493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.495
        },
        {
          "type": "R(meas)",
          "value": 3.622
        },
        {
          "type": "R(pim)",
          "value": 0.945
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 14.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.439
        }
      ]
    }
  ]

}
  

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


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