Data quality metrics extracted from 6fd4.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": "55c12971336a2e54a88ca610fa156144",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.38,
    "b": 47.54,
    "c": 47.67,
    "alpha": 69.86,
    "beta": 77.20,
    "gamma": 61.76
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.640,1.500],
    "number_observations_unique": 51022,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08300
      },
      {
        "type": "I/SigI",
        "value": 7.8000
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 3.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.61100
        },
        {
          "type": "Completeness",
          "value": 91.8
        },
        {
          "type": "Redundancy",
          "value": 3.10
        }
      ]
    }
  ]

}
  

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


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