Data quality metrics extracted from 4psh.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": "952c4d88d58a7d904e58f632c3cf8a2d",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 79.482,
    "b": 79.482,
    "c": 434.232,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.6],
    "number_observations_unique": 29302,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.46
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.6],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 75.6
        }
      ]
    }
  ]

}
  

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


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