Data quality metrics extracted from 6u06.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": "eca05fa51128cad0db21506ad8ac45f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.11,
    "b": 38.29,
    "c": 146.82,
    "alpha": 87.96,
    "beta": 94.87,
    "gamma": 101.64
  },
  "wavelengths": [1.11685],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [146.21,1.78],
    "number_observations_unique": 55811,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 11.51
      },
      {
        "type": "Completeness",
        "value": 95.89
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.78],
      "number_observations_unique": 5583,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.467
        }
      ]
    }
  ]

}
  

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


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