Data quality metrics extracted from 4pr8.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": "77b89d08176095a5720379a4e06b7266",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 78.577,
    "b": 95.155,
    "c": 104.823,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.0,1.158],
    "number_observations_unique": 65154,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 80.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.28,1.158],
      "number_observations_unique": 12011,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 34.2
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    },
    {
      "resolution_limits": [10.00,1.28],
      "number_observations_unique": 97842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 64.4
        },
        {
          "type": "Completeness",
          "value": 97.15
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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