Data quality metrics extracted from 6f8b.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": "cbcfc2ea7939a48a8da1e3c10ce66d35",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.293,
    "b": 89.998,
    "c": 41.857,
    "alpha": 90.00,
    "beta": 114.08,
    "gamma": 90.00
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.22,1.3],
    "number_observations_unique": 64739,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02876
      },
      {
        "type": "I/SigI",
        "value": 17.78
      },
      {
        "type": "Completeness",
        "value": 96.96
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.346,1.3],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1924
        }
      ]
    }
  ]

}
  

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


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