Data quality metrics extracted from 1sqb.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": "0c7c85b6e92f2b3d2c35a830b1190a19",
  "space_group_name": "I 41 2 2",
  "unit_cell": {
    "a": 153.554,
    "b": 153.554,
    "c": 596.393,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91889],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,2.690],
    "number_observations_unique": 99537,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.72,2.69],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    }
  ]

}
  

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


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