Data quality metrics extracted from 3fdg.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": "296799e68c628a15c64b4678d22d56a4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.246,
    "b": 50.683,
    "c": 81.594,
    "alpha": 82.42,
    "beta": 73.61,
    "gamma": 68.18
  },
  "wavelengths": [0.97940,0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.33,1.8],
    "number_observations_unique": 52476,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 16.48
      },
      {
        "type": "Completeness",
        "value": 90.69
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.848,1.8],
      "number_observations_unique": 4494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 2.44
        },
        {
          "type": "Completeness",
          "value": 55.18
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    }
  ]

}
  

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


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