Data quality metrics extracted from 8pxj.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": "cfba0cb617eee8ffc93558883e836a98",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 106.83,
    "b": 106.83,
    "c": 74.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [2.75520],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.30,2.75],
    "number_observations_unique": 6783,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1404
      },
      {
        "type": "R(meas)",
        "value": 0.1428
      },
      {
        "type": "R(pim)",
        "value": 0.02522
      },
      {
        "type": "I/SigI",
        "value": 21.54
      },
      {
        "type": "Completeness",
        "value": 97.20
      },
      {
        "type": "Redundancy",
        "value": 30.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.848,2.75],
      "number_observations_unique": 608,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.567
        }
      ]
    }
  ]

}
  

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


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