Data quality metrics extracted from 7fdw.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": "ceb052bcac412816e22862c9d68f2029",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 153.781,
    "b": 81.703,
    "c": 111.694,
    "alpha": 90.000,
    "beta": 129.857,
    "gamma": 90.000
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [76.7,2.277],
    "number_observations_unique": 48821,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 17.6
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 3
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.277],
      "number_observations_unique": 3392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    }
  ]

}
  

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


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