Data quality metrics extracted from 4nst.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": "56865a80834a592cba23a4baf41c5f71",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.72,
    "b": 78.85,
    "c": 91.49,
    "alpha": 104.04,
    "beta": 85.76,
    "gamma": 101.46
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.7,2.2],
    "number_observations_unique": 65263,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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