Data quality metrics extracted from 9fww.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": "6e935f1db3de85d2093b6a865e4bdf07",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 156.457,
    "b": 156.457,
    "c": 89.357,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.594,1.844],
    "number_observations_unique": 29007,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 15.4
      },
      {
        "type": "Completeness",
        "value": 91.3
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.046,1.844],
      "number_observations_unique": 1450,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.462
        },
        {
          "type": "CC(1/2)",
          "value": 0.785
        }
      ]
    }
  ]

}
  

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


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