Data quality metrics extracted from 6yaz.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": "0f31f141222f6156fb2ced0d8e214b33",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.136,
    "b": 43.307,
    "c": 83.024,
    "alpha": 101.53,
    "beta": 97.69,
    "gamma": 90.21
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.3,1.94],
    "number_observations_unique": 39971,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 7.7
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.94],
      "number_observations_unique": 1922,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 94.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.516
        }
      ]
    }
  ]

}
  

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


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