Data quality metrics extracted from 8fr5.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": "27a4be72c37e0d0437448439c1f6f5c1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.16,
    "b": 49.37,
    "c": 31.38,
    "alpha": 90.000,
    "beta": 110.301,
    "gamma": 90.000
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.43,1.33],
    "number_observations_unique": 19703,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04161
      },
      {
        "type": "R(meas)",
        "value": 0.04858
      },
      {
        "type": "R(pim)",
        "value": 0.02461
      },
      {
        "type": "I/SigI",
        "value": 14.08
      },
      {
        "type": "Completeness",
        "value": 95.46
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.378,1.33],
      "number_observations_unique": 5923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8219
        },
        {
          "type": "R(meas)",
          "value": 0.9694
        },
        {
          "type": "R(pim)",
          "value": 0.5037
        },
        {
          "type": "I/SigI",
          "value": 2.51
        },
        {
          "type": "Completeness",
          "value": 82.91
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.757
        }
      ]
    }
  ]

}
  

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


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