Data quality metrics extracted from 4fmd.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": "b6360140c24c42a3d12097cad10973d1",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 106.568,
    "b": 153.221,
    "c": 230.805,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97923],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.050],
    "number_observations_unique": 36189,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08500
      },
      {
        "type": "I/SigI",
        "value": 10.2000
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 4.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.10,3.05],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.78100
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.90
        }
      ]
    }
  ]

}
  

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


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