Data quality metrics extracted from 6don.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": "86b1dbc68d4eedd200fba7608f1ac1be",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.877,
    "b": 37.609,
    "c": 62.072,
    "alpha": 90.00,
    "beta": 96.37,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.990,1.420],
    "number_observations": 34701,
    "number_observations_unique": 34701,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 97.600
      },
      {
        "type": "Redundancy",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.450,1.420],
      "number_observations_unique": 1275,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 69.600
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [19.990,7.660],
      "number_observations_unique": 135,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 53.700
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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