Data quality metrics extracted from 4j3d.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": "c9f9bdc2ead5b7dbf0ffa5b96bfeb021",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 35.762,
    "b": 156.878,
    "c": 49.334,
    "alpha": 90.0,
    "beta": 102.4,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [156.878,1.830],
    "number_observations_unique": 35689,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 90
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.56
        }
      ]
    },
    {
      "resolution_limits": [21.96,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.80
        }
      ]
    }
  ]

}
  

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


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