Data quality metrics extracted from 7k2p.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": "452ae87642525ca66aa97285d68cccbc",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.613,
    "b": 68.871,
    "c": 77.199,
    "alpha": 90.000,
    "beta": 117.786,
    "gamma": 90.000
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.38,2.11],
    "number_observations_unique": 43332,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0465
      },
      {
        "type": "R(meas)",
        "value": 0.06577
      },
      {
        "type": "R(pim)",
        "value": 0.0465
      },
      {
        "type": "I/SigI",
        "value": 9.69
      },
      {
        "type": "Completeness",
        "value": 99.18
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.185,2.11],
      "number_observations_unique": 4147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4498
        },
        {
          "type": "R(meas)",
          "value": 0.636
        },
        {
          "type": "R(pim)",
          "value": 0.4498
        },
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "Completeness",
          "value": 95.84
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    }
  ]

}
  

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


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