Data quality metrics extracted from 1sqh.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": "44609f60c60bc98187baa65bafbd6b98",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 82.806,
    "b": 82.806,
    "c": 279.003,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97933],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.000],
    "number_observations_unique": 43215,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "Completeness",
        "value": 88.8
      },
      {
        "type": "Redundancy",
        "value": 3.250
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 49.7
        }
      ]
    }
  ]

}
  

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


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