Data quality metrics extracted from 6x5n.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": "70463299c1e054517b557e94aac0c0a7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.299,
    "b": 76.182,
    "c": 110.523,
    "alpha": 72.223,
    "beta": 88.584,
    "gamma": 86.569
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.43,3.30],
    "number_observations_unique": 18323,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 90.8
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.56,3.3],
      "number_observations_unique": 3255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        }
      ]
    }
  ]

}
  

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


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