Data quality metrics extracted from 8prf.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": "2f4cae9825b2ecc46aab554679018307",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 56.183,
    "b": 56.183,
    "c": 109.806,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.02,2.80],
    "number_observations": 81171,
    "number_observations_unique": 2374,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.286
      },
      {
        "type": "R(meas)",
        "value": 0.291
      },
      {
        "type": "R(pim)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 25.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 34.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.80],
      "number_observations": 12335,
      "number_observations_unique": 334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.603
        },
        {
          "type": "R(meas)",
          "value": 0.611
        },
        {
          "type": "R(pim)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 12.1
        },
        {
          "type": "Redundancy",
          "value": 36.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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