Data quality metrics extracted from 8j2p.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": "de54a2e57679ff923855b4dd067140cf",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 122.550,
    "b": 122.550,
    "c": 163.224,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.4,2.09],
    "number_observations_unique": 53556,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(pim)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 33.9
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.1],
      "number_observations_unique": 3559,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    }
  ]

}
  

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


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