Data quality metrics extracted from 3wj1.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": "ccc486233a5136e64fff12948f71b5fd",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 58.403,
    "b": 71.942,
    "c": 137.332,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.800,1.500],
    "number_observations_unique": 45391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08800
      },
      {
        "type": "I/SigI",
        "value": 14.7000
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29800
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    }
  ]

}
  

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


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