Data quality metrics extracted from 8k6s.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": "51da809d7d8833877615be580db7f0b9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 77.834,
    "b": 81.050,
    "c": 81.098,
    "alpha": 70.46,
    "beta": 76.23,
    "gamma": 65.48
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.60],
    "number_observations_unique": 197333,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.18
      },
      {
        "type": "I/SigI",
        "value": 16.88
      },
      {
        "type": "Completeness",
        "value": 88.4
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.6],
      "number_observations_unique": 9945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53
        },
        {
          "type": "I/SigI",
          "value": 1.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.76
        }
      ]
    }
  ]

}
  

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


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