Data quality metrics extracted from 9pvk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "be3ae08494cb0318191d308151368f17",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 78.167,
    "b": 78.167,
    "c": 231.464,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00060],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.29,1.8],
    "number_observations_unique": 39922,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "R(meas)",
        "value": 0.046
      },
      {
        "type": "R(pim)",
        "value": 0.010
      },
      {
        "type": "I/SigI",
        "value": 41.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 20.2
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.80],
      "number_observations_unique": 2311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.244
        },
        {
          "type": "R(meas)",
          "value": 1.274
        },
        {
          "type": "R(pim)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 20.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    }
  ]

}
  

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


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