Data quality metrics extracted from 5wc9.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": "dc9935c49318892698d0144e85a79b14",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 66.415,
    "b": 97.518,
    "c": 85.093,
    "alpha": 90.00,
    "beta": 93.65,
    "gamma": 90.00
  },
  "wavelengths": [1.54187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.2,3.15],
    "number_observations_unique": 18198,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2242
      },
      {
        "type": "R(pim)",
        "value": 0.07616
      },
      {
        "type": "I/SigI",
        "value": 10.57
      },
      {
        "type": "Completeness",
        "value": 95.92
      },
      {
        "type": "Redundancy",
        "value": 9.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.263,3.15],
      "number_observations_unique": 1681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5317
        },
        {
          "type": "R(pim)",
          "value": 0.2808
        },
        {
          "type": "I/SigI",
          "value": 2.24
        },
        {
          "type": "Completeness",
          "value": 87.13
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    }
  ]

}
  

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


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