Data quality metrics extracted from 7k2m.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": "c5bfadacd330d5c254b711bad13f2b3b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.765,
    "b": 68.856,
    "c": 77.389,
    "alpha": 90.000,
    "beta": 117.898,
    "gamma": 90.000
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.55,2.02],
    "number_observations_unique": 48667,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03119
      },
      {
        "type": "R(meas)",
        "value": 0.04411
      },
      {
        "type": "R(pim)",
        "value": 0.03119
      },
      {
        "type": "I/SigI",
        "value": 15.48
      },
      {
        "type": "Completeness",
        "value": 97.88
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.093,2.021],
      "number_observations_unique": 4638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3165
        },
        {
          "type": "R(meas)",
          "value": 0.4476
        },
        {
          "type": "R(pim)",
          "value": 0.3165
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "Completeness",
          "value": 93.82
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.866
        }
      ]
    }
  ]

}
  

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


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