Data quality metrics extracted from 9n4c.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "be3353a6a0f0ef5c3ae4a19701da5fc4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.217,
    "b": 60.532,
    "c": 67.134,
    "alpha": 67.842,
    "beta": 78.049,
    "gamma": 68.362
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.26,2.30],
    "number_observations_unique": 53737,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09267
      },
      {
        "type": "R(meas)",
        "value": 0.1311
      },
      {
        "type": "R(pim)",
        "value": 0.019
      },
      {
        "type": "I/SigI",
        "value": 27.53
      },
      {
        "type": "Completeness",
        "value": 96.26
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.30],
      "number_observations_unique": 3053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.348
        },
        {
          "type": "R(pim)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 8.85
        },
        {
          "type": "Completeness",
          "value": 68.39
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    }
  ]

}
  

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


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