Data quality metrics extracted from 8wag.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": "6b04abbbb787f2b6d4241c7736202d3f",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 180.702,
    "b": 180.702,
    "c": 180.702,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,3.0],
    "number_observations_unique": 19727,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 30.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 21.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,3.00],
      "number_observations_unique": 973,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.501
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    }
  ]

}
  

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


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