Data quality metrics extracted from 1i6w.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": "dd295f8dc95a7b07015a3b2e642286b3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.639,
    "b": 83.201,
    "c": 95.752,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,1.5],
    "number_observations_unique": 689356,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 7.600
      },
      {
        "type": "I/SigI",
        "value": 20.8
      },
      {
        "type": "Completeness",
        "value": 82.4
      },
      {
        "type": "Redundancy",
        "value": 16.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "number_observations_unique": 765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 28.000
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 30.6
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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