Data quality metrics extracted from 7k28.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": "776b35795bace87c6fbac566f1411e83",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.008,
    "b": 68.615,
    "c": 77.350,
    "alpha": 90.0,
    "beta": 117.9,
    "gamma": 90.0
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.46,2.15],
    "number_observations_unique": 40840,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03949
      },
      {
        "type": "R(meas)",
        "value": 0.05584
      },
      {
        "type": "R(pim)",
        "value": 0.03949
      },
      {
        "type": "I/SigI",
        "value": 11.35
      },
      {
        "type": "Completeness",
        "value": 99.67
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.227,2.15],
      "number_observations_unique": 3980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2963
        },
        {
          "type": "R(meas)",
          "value": 0.4191
        },
        {
          "type": "R(pim)",
          "value": 0.2963
        },
        {
          "type": "I/SigI",
          "value": 2.02
        },
        {
          "type": "Completeness",
          "value": 98.08
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.84
        }
      ]
    }
  ]

}
  

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


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