Data quality metrics extracted from 3zzi.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": "60eaeec85e17ff928d2c52c1a14f7099",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 95.24,
    "b": 111.29,
    "c": 113.14,
    "alpha": 75.77,
    "beta": 89.29,
    "gamma": 69.12
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [109.00,3.80],
    "number_observations_unique": 39773,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 10.50
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  }
}
  

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


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