Data quality metrics extracted from 6n9r.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": "bda841c81ab7f6703eab887574a24f37",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 145.01,
    "b": 108.59,
    "c": 78.60,
    "alpha": 90.00,
    "beta": 115.75,
    "gamma": 90.00
  },
  "wavelengths": [1.03333],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.80,1.75],
    "number_observations_unique": 109519,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "R(meas)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 15.21
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.98
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.75],
      "number_observations_unique": 16825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "R(meas)",
          "value": 0.48
        },
        {
          "type": "I/SigI",
          "value": 3.32
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 4.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    }
  ]

}
  

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


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