Data quality metrics extracted from 6fj1.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": "8eca641de1c8d63423c5dcac457cd413",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 208.54,
    "b": 131.97,
    "c": 70.09,
    "alpha": 90.00,
    "beta": 90.14,
    "gamma": 90.00
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.04,2.69],
    "number_observations_unique": 52058,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 7.62
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 3.41
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.69],
      "number_observations_unique": 8090,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.24
        },
        {
          "type": "I/SigI",
          "value": 1.03
        },
        {
          "type": "Completeness",
          "value": 96.2
        },
        {
          "type": "Redundancy",
          "value": 3.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.72
        }
      ]
    }
  ]

}
  

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


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