Data quality metrics extracted from 6i8k.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": "e38c733e6b5b3d93fe55bac0d131b3ba",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.008,
    "b": 68.281,
    "c": 74.917,
    "alpha": 90.00,
    "beta": 105.79,
    "gamma": 90.00
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.64,1.98],
    "number_observations_unique": 49513,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.705
      },
      {
        "type": "I/SigI",
        "value": 2.16
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 35.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.969
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.98],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.774
        },
        {
          "type": "I/SigI",
          "value": 0.66
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 9.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.602
        }
      ]
    }
  ]

}
  

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


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