Data quality metrics extracted from 1uqs.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": "914acf332db08f79ccad514ca1bb6a17",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 96.974,
    "b": 96.974,
    "c": 114.834,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.01000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,3.100],
    "number_observations_unique": 11697,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07700
      },
      {
        "type": "I/SigI",
        "value": 34.9000
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 12.800
      }
    ]
  }
}
  

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


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