Data quality metrics extracted from 4au0.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": "25723919a5ca80da84a44bc90d877caf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.98,
    "b": 52.48,
    "c": 66.45,
    "alpha": 76.66,
    "beta": 79.02,
    "gamma": 76.02
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.00,1.70],
    "number_observations_unique": 66307,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 9.70
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 2.60
        },
        {
          "type": "Completeness",
          "value": 96.1
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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