Data quality metrics extracted from 5x4g.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": "e4b6b9615918b33db434f1ad1f2febb9",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 40.104,
    "b": 100.448,
    "c": 108.175,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97852],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.34,1.45],
    "number_observations_unique": 77443,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.652
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 95.9
        },
        {
          "type": "Redundancy",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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