Data quality metrics extracted from 7wsb.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": "4c5496290a3cbfca59154ae62cd7f906",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 104.050,
    "b": 85.447,
    "c": 160.768,
    "alpha": 90.000,
    "beta": 108.838,
    "gamma": 90.000
  },
  "wavelengths": [0.97852],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.87],
    "number_observations_unique": 60482,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.140
      },
      {
        "type": "I/SigI",
        "value": 13.39
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.92,2.87],
      "number_observations_unique": 2949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.608
        },
        {
          "type": "I/SigI",
          "value": 2.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    }
  ]

}
  

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


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