Data quality metrics extracted from 5hni.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": "d7059ba0eb4d39365dc0c9ae03d92044",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.853,
    "b": 47.061,
    "c": 81.985,
    "alpha": 76.96,
    "beta": 76.96,
    "gamma": 90.00
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.76,1.71],
    "number_observations_unique": 50994,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 77.1
      },
      {
        "type": "Redundancy",
        "value": 2
      }
    ]
  }
}
  

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


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