Data quality metrics extracted from 9exu.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": "67b9d8ff0ebb6ec2b0501916c33d47a6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.558,
    "b": 61.356,
    "c": 67.902,
    "alpha": 92.22,
    "beta": 109.10,
    "gamma": 108.38
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.88,1.78],
    "number_observations_unique": 68784,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "R(meas)",
        "value": 0.045
      },
      {
        "type": "R(pim)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 13.8
      },
      {
        "type": "Completeness",
        "value": 93.1
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.78],
      "number_observations_unique": 2308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.993
        },
        {
          "type": "R(meas)",
          "value": 1.195
        },
        {
          "type": "R(pim)",
          "value": 0.652
        },
        {
          "type": "CC(1/2)",
          "value": 0.665
        }
      ]
    }
  ]

}
  

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


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