Data quality metrics extracted from 5x5g.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": "0b77d7a5a84b64b992cf3cb3b4de84f4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 95.19,
    "b": 67.91,
    "c": 45.32,
    "alpha": 90.0,
    "beta": 94.6,
    "gamma": 90.0
  },
  "wavelengths": [1.12000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.22,2.00],
    "number_observations_unique": 18894,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 20.0
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 7.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.00],
      "number_observations_unique": 2688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.295
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 95.6
        },
        {
          "type": "Redundancy",
          "value": 7.6
        }
      ]
    }
  ]

}
  

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


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