Data quality metrics extracted from 3qbq.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": "e4643fa4195e752d77e4b2e17b6c9f9a",
  "space_group_name": "P 3",
  "unit_cell": {
    "a": 120.860,
    "b": 120.860,
    "c": 93.425,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.66,2.5],
    "number_observations_unique": 52575,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 31.4
      },
      {
        "type": "Redundancy",
        "value": 10.46
      }
    ]
  }
}
  

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


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