Data quality metrics extracted from 5wva.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": "1e5550849ea3f7dd319e9f8f3ad03de8",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 83.925,
    "b": 83.925,
    "c": 115.038,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.55,1.47],
    "number_observations_unique": 70468,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(pim)",
        "value": 0.009
      },
      {
        "type": "I/SigI",
        "value": 85.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 28.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.47],
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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