Data quality metrics extracted from 4nxe.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": "7bcca0bb9d0616ec80ba196e26b8c887",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.474,
    "b": 65.430,
    "c": 49.565,
    "alpha": 90.00,
    "beta": 102.67,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.10],
    "number_observations_unique": 12433,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 91.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "number_observations_unique": 651,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 3.6
        }
      ]
    }
  ]

}
  

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


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