Data quality metrics extracted from 1w3b.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": "03d1830159696bfca4089f504a723ba6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.32,
    "b": 75.51,
    "c": 77.67,
    "alpha": 105.08,
    "beta": 105.14,
    "gamma": 110.28
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.850],
    "number_observations_unique": 27841,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05000
      },
      {
        "type": "I/SigI",
        "value": 21.0000
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 5.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47000
        },
        {
          "type": "I/SigI",
          "value": 3.500
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 5.10
        }
      ]
    }
  ]

}
  

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


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