Data quality metrics extracted from 9wjk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "2c0c941bb04957fa6e1fae33bcbbcb32",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 54.914,
    "b": 58.635,
    "c": 179.354,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00002],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.08,1.8],
    "number_observations_unique": 54653,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0275
      },
      {
        "type": "I/SigI",
        "value": 15.38
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.8],
      "number_observations_unique": 5364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2571
        },
        {
          "type": "Completeness",
          "value": 99.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    }
  ]

}
  

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


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