Data quality metrics extracted from 4r45.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": "75334beb93ac304ff8129e73a23856b0",
  "space_group_name": "P -1",
  "unit_cell": {
    "a": 27.646,
    "b": 28.300,
    "c": 45.719,
    "alpha": 104.50,
    "beta": 94.19,
    "gamma": 113.42
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.02,1.90],
    "number_observations_unique": 9011,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0628
      },
      {
        "type": "I/SigI",
        "value": 7.81
      },
      {
        "type": "Completeness",
        "value": 94.89
      },
      {
        "type": "Redundancy",
        "value": 1.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1227
        },
        {
          "type": "I/SigI",
          "value": 2.66
        },
        {
          "type": "Completeness",
          "value": 95.66
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    }
  ]

}
  

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


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