Data quality metrics extracted from 2w8b.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": "7d9b01cb3037b5bf2bb0c0bd10f5743f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 74.74,
    "b": 89.24,
    "c": 90.90,
    "alpha": 86.81,
    "beta": 89.81,
    "gamma": 68.62
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.74,1.86],
    "number_observations_unique": 176410,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 7.20
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.86],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.66
        },
        {
          "type": "I/SigI",
          "value": 1.20
        },
        {
          "type": "Completeness",
          "value": 94.9
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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