Data quality metrics extracted from 3w6x.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": "c446508e6af30e05184a92371317960d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.345,
    "b": 229.340,
    "c": 84.755,
    "alpha": 90.00,
    "beta": 90.94,
    "gamma": 90.00
  },
  "wavelengths": [0.98508],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.945,2.299],
    "number_observations_unique": 134196,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.3],
      "number_observations_unique": 19509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.453
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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