Data quality metrics extracted from 5g5u.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": "e52942ee3344f8178bf975d4318c05d1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.231,
    "b": 75.620,
    "c": 76.720,
    "alpha": 90.0,
    "beta": 110.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97945],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.20,2.25],
    "number_observations_unique": 32273,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17
      },
      {
        "type": "I/SigI",
        "value": 8.80
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 4.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.86
        },
        {
          "type": "I/SigI",
          "value": 3.70
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    }
  ]

}
  

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


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