Data quality metrics extracted from 3qi5.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": "235e27e5060c9041ebc364107dc1bd3b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.226,
    "b": 41.220,
    "c": 82.144,
    "alpha": 81.23,
    "beta": 88.40,
    "gamma": 89.15
  },
  "wavelengths": [1.11600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.11,2.2],
    "number_observations_unique": 26278,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.252,2.2],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.61
        }
      ]
    }
  ]

}
  

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


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