Data quality metrics extracted from 7ae4.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": "fcedc01f61a4f9e4d1465aa8802d4913",
  "space_group_name": "F 2 2 2",
  "unit_cell": {
    "a": 270.92,
    "b": 320.55,
    "c": 326.23,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.28400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.05,3.31],
    "number_observations_unique": 104765,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1062
      },
      {
        "type": "R(meas)",
        "value": 0.1141
      },
      {
        "type": "R(pim)",
        "value": 0.04155
      },
      {
        "type": "I/SigI",
        "value": 13.95
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 7.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.428,3.31],
      "number_observations_unique": 10415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.554
        },
        {
          "type": "R(meas)",
          "value": 1.665
        },
        {
          "type": "R(pim)",
          "value": 0.5936
        },
        {
          "type": "CC(1/2)",
          "value": 0.511
        }
      ]
    }
  ]

}
  

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


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