Data quality metrics extracted from 2q85.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": "ce3c1c0476f5ba980f47b6831d3f23eb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.993,
    "b": 89.301,
    "c": 50.943,
    "alpha": 90.00,
    "beta": 111.11,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.87,2.5],
    "number_observations_unique": 11573,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.5],
      "number_observations_unique": 1188,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 0.871
        }
      ]
    }
  ]

}
  

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


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