Data quality metrics extracted from 4f5z.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": "09e5542a8b412735d00d78a61939c181",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.663,
    "b": 44.489,
    "c": 46.389,
    "alpha": 115.28,
    "beta": 98.61,
    "gamma": 109.55
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.2],
    "number_observations_unique": 78455,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 18.85
      },
      {
        "type": "Completeness",
        "value": 91.7
      },
      {
        "type": "Redundancy",
        "value": 2.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.2],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 72.1
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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