Data quality metrics extracted from 8etl.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": "7c5be8963985ee877a49d0bc2a311212",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 135.598,
    "b": 178.525,
    "c": 180.299,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.83,2.3],
    "number_observations_unique": 96102,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "R(pim)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 14.09
      },
      {
        "type": "Completeness",
        "value": 99.60
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.386,2.3],
      "number_observations_unique": 9196,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.792
        },
        {
          "type": "I/SigI",
          "value": 1.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.402
        }
      ]
    }
  ]

}
  

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


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