Data quality metrics extracted from 7k2a.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": "ec5ca40b2a6e40287e8309d1061556f1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.078,
    "b": 68.972,
    "c": 78.259,
    "alpha": 90.00,
    "beta": 117.81,
    "gamma": 90.00
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.63,1.90],
    "number_observations_unique": 58528,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04004
      },
      {
        "type": "R(meas)",
        "value": 0.05663
      },
      {
        "type": "R(pim)",
        "value": 0.04004
      },
      {
        "type": "I/SigI",
        "value": 11.02
      },
      {
        "type": "Completeness",
        "value": 97.42
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.902],
      "number_observations_unique": 5692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        },
        {
          "type": "R(meas)",
          "value": 0.6278
        },
        {
          "type": "R(pim)",
          "value": 0.444
        },
        {
          "type": "I/SigI",
          "value": 1.66
        },
        {
          "type": "Completeness",
          "value": 95.56
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.741
        }
      ]
    }
  ]

}
  

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


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