Data quality metrics extracted from 8g8j.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": "f8e225e62cb03ee2b9174d7a6cde3b09",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 98.900,
    "b": 98.900,
    "c": 81.222,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97933],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.936,1.737],
    "number_observations_unique": 39730,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.35
      },
      {
        "type": "Completeness",
        "value": 86
      },
      {
        "type": "Redundancy",
        "value": 11.96
      },
      {
        "type": "CC(1/2)",
        "value": 0.9994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.768,1.737],
      "number_observations_unique": 2461,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.4548
        }
      ]
    }
  ]

}
  

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


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