Data quality metrics extracted from 4fio.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": "9c7c0b96750461c47f3d6b7ebe5e87be",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.370,
    "b": 74.855,
    "c": 74.816,
    "alpha": 120.06,
    "beta": 100.01,
    "gamma": 98.28
  },
  "wavelengths": [0.95369],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.880,1.370],
    "number_observations_unique": 184543,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.3000
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.44,1.37],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.60600
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 79.6
        }
      ]
    }
  ]

}
  

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


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