Data quality metrics extracted from 9wdd.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "0991c9f67c7498bee7910bb514d23c5f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.837,
    "b": 107.229,
    "c": 83.386,
    "alpha": 90.00,
    "beta": 96.83,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.53,1.45],
    "number_observations_unique": 331040,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 1.33
      },
      {
        "type": "Completeness",
        "value": 89.19
      },
      {
        "type": "Redundancy",
        "value": 4.92
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.45],
      "number_observations_unique": 174470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.558
        }
      ]
    }
  ]

}
  

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


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