Data quality metrics extracted from 7bq6.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": "58e9581583576542e7005d547ce7e3a6",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 80.291,
    "b": 92.090,
    "c": 122.870,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.44,1.89],
    "number_observations_unique": 36259,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.132
      },
      {
        "type": "I/SigI",
        "value": 2.09
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 5.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.926,1.894],
      "number_observations_unique": 1804,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.707
        }
      ]
    }
  ]

}
  

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


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