Data quality metrics extracted from 8e9k.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": "584f9aff83757cae3c31988b7181fbb6",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 143.83,
    "b": 143.83,
    "c": 81.57,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.16,1.83],
    "number_observations_unique": 84225,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 10.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.83],
      "number_observations_unique": 4169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.348
        }
      ]
    }
  ]

}
  

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


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