Data quality metrics extracted from 8r98.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": "7769c080bc6400f80d1aaced16886860",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 150.108,
    "b": 84.964,
    "c": 296.943,
    "alpha": 90.00,
    "beta": 96.87,
    "gamma": 90.00
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.387,2.774],
    "number_observations_unique": 59820,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 6.512
      },
      {
        "type": "Completeness",
        "value": 63.34
      },
      {
        "type": "Redundancy",
        "value": 6.88
      },
      {
        "type": "CC(1/2)",
        "value": 0.9987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.100,2.774],
      "number_observations_unique": 4018,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 1.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.3825
        }
      ]
    }
  ]

}
  

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


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