Data quality metrics extracted from 7wao.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": "5e56ba8c74b04f7ece654d0c60d37957",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 156.75,
    "b": 46.88,
    "c": 94.53,
    "alpha": 90.00,
    "beta": 108.88,
    "gamma": 90.00
  },
  "wavelengths": [0.98400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.33,2.58],
    "number_observations_unique": 20654,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 11.1
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.65,2.58],
      "number_observations_unique": 1370,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.224
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 89.4
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.69
        }
      ]
    }
  ]

}
  

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


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