Data quality metrics extracted from 7k2o.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": "8ab59e57112a62339b6a32c576b64681",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.286,
    "b": 68.803,
    "c": 77.098,
    "alpha": 90.000,
    "beta": 117.588,
    "gamma": 90.000
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.33,2.108],
    "number_observations_unique": 43354,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03772
      },
      {
        "type": "R(meas)",
        "value": 0.05335
      },
      {
        "type": "R(pim)",
        "value": 0.03772
      },
      {
        "type": "I/SigI",
        "value": 11.03
      },
      {
        "type": "Completeness",
        "value": 99.27
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.183,2.108],
      "number_observations_unique": 4153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2884
        },
        {
          "type": "R(meas)",
          "value": 0.4078
        },
        {
          "type": "R(pim)",
          "value": 0.2884
        },
        {
          "type": "I/SigI",
          "value": 1.82
        },
        {
          "type": "Completeness",
          "value": 95.75
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    }
  ]

}
  

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


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