Data quality metrics extracted from 3qer.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": "745e44f6fd5951d7c79a24c1b9189646",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 78.269,
    "b": 118.705,
    "c": 130.523,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.96],
    "number_observations_unique": 82929,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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