Data quality metrics extracted from 2fss.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": "89133427e380c2c88bbbdc3d63352520",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.430,
    "b": 68.389,
    "c": 109.369,
    "alpha": 77.93,
    "beta": 89.33,
    "gamma": 81.34
  },
  "wavelengths": [0.84140],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.5,1.70],
    "number_observations_unique": 158925,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    }
  ]

}
  

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


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