Data quality metrics extracted from 8j6e.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": "980e44d8db05418e2a4f461c6d2371cf",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 89.39,
    "b": 89.39,
    "c": 98.38,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.52,2.05],
    "number_observations_unique": 28988,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.73
      },
      {
        "type": "Completeness",
        "value": 99.96
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.123,2.05],
      "number_observations_unique": 2855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "R(pim)",
          "value": 0.25
        },
        {
          "type": "I/SigI",
          "value": 2.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.837
        }
      ]
    }
  ]

}
  

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


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