Data quality metrics extracted from 8d28.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": "22121190accdde4f43b49bca9c169757",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 23.074,
    "b": 29.561,
    "c": 80.397,
    "alpha": 95.73,
    "beta": 90.09,
    "gamma": 109.58
  },
  "wavelengths": [0.97648],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.97,1.42],
    "number_observations_unique": 35223,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.19
      },
      {
        "type": "Completeness",
        "value": 93.76
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "number_observations_unique": 3451,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.54
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    }
  ]

}
  

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


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