Data quality metrics extracted from 6f6q.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": "9a7ec40ad8eb39bacb74920256d55c98",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 157.81,
    "b": 157.81,
    "c": 103.94,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.85000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.82,1.79],
    "number_observations_unique": 71613,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.110
      },
      {
        "type": "I/SigI",
        "value": 4.5902
      },
      {
        "type": "Completeness",
        "value": 99.65
      },
      {
        "type": "Redundancy",
        "value": 30.63
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.79],
      "number_observations_unique": 10121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 2.40
        },
        {
          "type": "Completeness",
          "value": 97.86
        },
        {
          "type": "Redundancy",
          "value": 9.44
        }
      ]
    }
  ]

}
  

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


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