Data quality metrics extracted from 9frr.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": "e2d6c9e46b829dabd95818cec621e6f1",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 58.414,
    "b": 58.414,
    "c": 122.111,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.34000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.569,1.6],
    "number_observations_unique": 31052,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0606
      },
      {
        "type": "R(pim)",
        "value": 0.01496
      },
      {
        "type": "I/SigI",
        "value": 35.31
      },
      {
        "type": "Completeness",
        "value": 99.88
      },
      {
        "type": "Redundancy",
        "value": 17.1
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.6],
      "number_observations_unique": 3119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.512
        },
        {
          "type": "R(pim)",
          "value": 0.1349
        },
        {
          "type": "I/SigI",
          "value": 5.66
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    }
  ]

}
  

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


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