Data quality metrics extracted from 1wcb.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": "de33a2e6d424ca7aec9edce2bdd51dfd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.9,
    "b": 60.3,
    "c": 64.6,
    "alpha": 79.4,
    "beta": 78.2,
    "gamma": 80.8
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.000,2.500],
    "number_observations_unique": 28522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08000
      },
      {
        "type": "I/SigI",
        "value": 15.9000
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20000
        },
        {
          "type": "I/SigI",
          "value": 5.100
        },
        {
          "type": "Completeness",
          "value": 94.3
        },
        {
          "type": "Redundancy",
          "value": 1.80
        }
      ]
    }
  ]

}
  

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


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