Data quality metrics extracted from 7k41.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": "ff105620831ba427fa7c2a0e433d5f7f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 188.771,
    "b": 52.646,
    "c": 84.464,
    "alpha": 90.000,
    "beta": 99.693,
    "gamma": 90.000
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.63,2.0],
    "number_observations_unique": 52607,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05266
      },
      {
        "type": "I/SigI",
        "value": 17.46
      },
      {
        "type": "Completeness",
        "value": 93.41
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.064,2.0],
      "number_observations_unique": 3250,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4469
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 58.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.781
        }
      ]
    }
  ]

}
  

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


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