Data quality metrics extracted from 1kwq.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": "56751c257906e6e7d7498b2d0731f8c0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.69,
    "b": 41.69,
    "c": 72.64,
    "alpha": 90.00,
    "beta": 104.78,
    "gamma": 90.00
  },
  "wavelengths": [1.54218],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100,2.6],
    "number_observations_unique": 8012,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 6.20
      }
    ]
  }
}
  

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


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