Data quality metrics extracted from 3n6r.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": "ae15f5e1fb543c76721476973e87f5be",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 133.89,
    "b": 159.17,
    "c": 153.74,
    "alpha": 113.87,
    "beta": 101.03,
    "gamma": 108.99
  },
  "wavelengths": [1.08090],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.200],
    "number_observations_unique": 169648,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08400
      },
      {
        "type": "I/SigI",
        "value": 8.6854
      },
      {
        "type": "Completeness",
        "value": 92.0
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34200
        },
        {
          "type": "I/SigI",
          "value": 2.024
        },
        {
          "type": "Completeness",
          "value": 80.0
        },
        {
          "type": "Redundancy",
          "value": 1.70
        }
      ]
    }
  ]

}
  

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


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