Data quality metrics extracted from 9kg9.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": "477af2839bfb6ba77d9418dc0089c875",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 68.247,
    "b": 68.247,
    "c": 79.324,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.10,1.55],
    "number_observations": 382346,
    "number_observations_unique": 30932,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 16.2
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 12.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.55],
      "number_observations": 56200,
      "number_observations_unique": 4492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.743
        },
        {
          "type": "R(meas)",
          "value": 0.775
        },
        {
          "type": "R(pim)",
          "value": 0.217
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Redundancy",
          "value": 12.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    }
  ]

}
  

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


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