Data quality metrics extracted from 6uwa.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": "5dd6f3073f45a84526035a87a791d4bc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.041,
    "b": 58.974,
    "c": 104.954,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.94967],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.203,1.20],
    "number_observations_unique": 126177,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1328
      },
      {
        "type": "R(pim)",
        "value": 0.05395
      },
      {
        "type": "I/SigI",
        "value": 12.0
      },
      {
        "type": "Completeness",
        "value": 98.22
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.214,1.20],
      "number_observations_unique": 3798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7181
        },
        {
          "type": "R(pim)",
          "value": 0.348
        },
        {
          "type": "CC(1/2)",
          "value": 0.658
        }
      ]
    }
  ]

}
  

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


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