Data quality metrics extracted from 8d6n.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": "ca0ad7d2de6b159e36499704a26f7e14",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 29.612,
    "b": 67.106,
    "c": 63.903,
    "alpha": 90.000,
    "beta": 90.108,
    "gamma": 90.000
  },
  "wavelengths": [1.12720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.55,1.42],
    "number_observations_unique": 22948,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.036
      },
      {
        "type": "R(pim)",
        "value": 0.014
      },
      {
        "type": "I/SigI",
        "value": 22949
      },
      {
        "type": "Completeness",
        "value": 97.28
      },
      {
        "type": "Redundancy",
        "value": 6.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "number_observations_unique": 2284,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "R(pim)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 96.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    }
  ]

}
  

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


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