Data quality metrics extracted from 3q5w.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": "ba280e2786634b77b67f76f951a83322",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.66,
    "b": 51.18,
    "c": 71.33,
    "alpha": 103.92,
    "beta": 100.02,
    "gamma": 98.00
  },
  "wavelengths": [0.97900,0.97800,0.93900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.600,2.750],
    "number_observations_unique": 11764,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06500
      },
      {
        "type": "I/SigI",
        "value": 19.0000
      },
      {
        "type": "Completeness",
        "value": 94.0
      },
      {
        "type": "Redundancy",
        "value": 2.000
      }
    ]
  }
}
  

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


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