Data quality metrics extracted from 5nnb.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": "cc32d9e156504eaf4c80af15ae0f6406",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.346,
    "b": 69.923,
    "c": 93.536,
    "alpha": 108.23,
    "beta": 95.26,
    "gamma": 103.76
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.651,1.8],
    "number_observations_unique": 77447,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 93.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.80],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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