Data quality metrics extracted from 9gkw.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": "8087b1ef10eb9e559d90893a10a5ce8f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 131.616,
    "b": 144.034,
    "c": 92.959,
    "alpha": 90.000,
    "beta": 92.119,
    "gamma": 90.000
  },
  "wavelengths": [0.97951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.64,2.10],
    "number_observations_unique": 85350,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "R(meas)",
        "value": 0.228
      },
      {
        "type": "I/SigI",
        "value": 8.26
      },
      {
        "type": "Completeness",
        "value": 84.7
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.10],
      "number_observations_unique": 14336,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.964
        },
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "Completeness",
          "value": 88.2
        },
        {
          "type": "Redundancy",
          "value": 4.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.646
        }
      ]
    }
  ]

}
  

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


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