Data quality metrics extracted from 2q5d.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": "a96497c074b4f3782fd5cc2e66d86da0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 102.985,
    "b": 100.696,
    "c": 108.680,
    "alpha": 90.00,
    "beta": 109.23,
    "gamma": 90.00
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,3.2],
    "number_observations_unique": 50424,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 78.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.20],
      "number_observations_unique": 1763,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "Completeness",
          "value": 51.7
        }
      ]
    }
  ]

}
  

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


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