Data quality metrics extracted from 8fe8.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": "e39d5ce5501e770e4aceefe5d989d142",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.076,
    "b": 72.613,
    "c": 108.426,
    "alpha": 90.000,
    "beta": 99.853,
    "gamma": 90.000
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.64,2.5],
    "number_observations_unique": 43179,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.291
      },
      {
        "type": "R(meas)",
        "value": 0.306
      },
      {
        "type": "R(pim)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 21.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations_unique": 4507,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 15.493
        },
        {
          "type": "R(pim)",
          "value": 4.845
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 21.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.652
        }
      ]
    }
  ]

}
  

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


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