Data quality metrics extracted from 8j9f.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": "600c4f9b365788da6793e41260790684",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 65.30,
    "b": 113.25,
    "c": 158.66,
    "alpha": 71.468,
    "beta": 82.684,
    "gamma": 79.830
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.85],
    "number_observations_unique": 832650,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.619
      },
      {
        "type": "I/SigI",
        "value": 3.65
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 8.46
      },
      {
        "type": "CC(1/2)",
        "value": 0.879
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.02,2.85],
      "number_observations_unique": 131530,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.661
        },
        {
          "type": "I/SigI",
          "value": 1.33
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 8.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.515
        }
      ]
    }
  ]

}
  

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


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