Data quality metrics extracted from 8fr3.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": "eba79b0e0dc513ac95b5b55b40857c80",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.385,
    "b": 65.222,
    "c": 70.559,
    "alpha": 107.67,
    "beta": 98.79,
    "gamma": 107.08
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.820,2.230],
    "number_observations_unique": 42498,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1098
      },
      {
        "type": "R(meas)",
        "value": 0.1208
      },
      {
        "type": "R(pim)",
        "value": 0.04984
      },
      {
        "type": "I/SigI",
        "value": 9.79
      },
      {
        "type": "Completeness",
        "value": 93.98
      },
      {
        "type": "Redundancy",
        "value": 5.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.310,2.230],
      "number_observations_unique": 3782,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8816
        },
        {
          "type": "R(meas)",
          "value": 0.9666
        },
        {
          "type": "R(pim)",
          "value": 0.3918
        },
        {
          "type": "Completeness",
          "value": 84.31
        },
        {
          "type": "Redundancy",
          "value": 5.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.777
        }
      ]
    }
  ]

}
  

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


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