Data quality metrics extracted from 6f6j.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": "bdf8160799e94d0e193893894043cd36",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.95,
    "b": 67.39,
    "c": 110.65,
    "alpha": 107.55,
    "beta": 102.87,
    "gamma": 93.58
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.0],
    "number_observations_unique": 101680,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.0083
      },
      {
        "type": "I/SigI",
        "value": 13.63
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 5.85
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.0],
      "number_observations_unique": 7144,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.833
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "Completeness",
          "value": 93.1
        },
        {
          "type": "Redundancy",
          "value": 2.985
        },
        {
          "type": "CC(1/2)",
          "value": 0.738
        }
      ]
    }
  ]

}
  

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


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