Data quality metrics extracted from 4nih.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": "28dcbbea643df4a91e8c42b78e5084b7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.072,
    "b": 76.369,
    "c": 53.178,
    "alpha": 90.00,
    "beta": 108.98,
    "gamma": 90.00
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.374],
    "number_observations_unique": 59661,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.374],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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