Data quality metrics extracted from 1c4q.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": "8991b6f36ed10a0d9ae868b5ac6723d7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.269,
    "b": 44.165,
    "c": 54.007,
    "alpha": 106.24,
    "beta": 106.69,
    "gamma": 98.87
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.7,1.52],
    "number_observations_unique": 54074,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  }
}
  

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


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