Data quality metrics extracted from 8pfq.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": "7506761121562909f7e65aeb8049a3d8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 26.763,
    "b": 27.037,
    "c": 29.141,
    "alpha": 62.59,
    "beta": 63.80,
    "gamma": 88.70
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.38,1.01],
    "number_observations_unique": 27271,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05207
      },
      {
        "type": "R(meas)",
        "value": 0.05207
      },
      {
        "type": "R(pim)",
        "value": 0.02766
      },
      {
        "type": "I/SigI",
        "value": 8.86
      },
      {
        "type": "Completeness",
        "value": 82.01
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.046,1.01],
      "number_observations_unique": 1270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8088
        },
        {
          "type": "R(meas)",
          "value": 1.095
        },
        {
          "type": "R(pim)",
          "value": 0.7333
        },
        {
          "type": "I/SigI",
          "value": 0.61
        },
        {
          "type": "Completeness",
          "value": 25.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.465
        }
      ]
    }
  ]

}
  

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


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