Data quality metrics extracted from 1zq9.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": "bc19679846dc20f028c2523e253c683b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.629,
    "b": 185.243,
    "c": 45.072,
    "alpha": 90.0,
    "beta": 91.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.90],
    "number_observations_unique": 41616,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 11.2
      },
      {
        "type": "Redundancy",
        "value": 5.9
      }
    ]
  }
}
  

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


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