Data quality metrics extracted from 5afo.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": "0493d20505b9e94c437e1a0a1e19276d",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 49.01,
    "b": 372.13,
    "c": 99.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.00,1.82],
    "number_observations_unique": 82152,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 23.95
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 11.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.82],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.77
        },
        {
          "type": "I/SigI",
          "value": 2.63
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 6.5
        }
      ]
    }
  ]

}
  

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


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