Data quality metrics extracted from 5bw2.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": "202f4e2b221a0c32e67ded0364f98920",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 163.74,
    "b": 84.40,
    "c": 119.66,
    "alpha": 90.0,
    "beta": 130.8,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.980,2.270],
    "number_observations_unique": 57146,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10700
      },
      {
        "type": "I/SigI",
        "value": 14.5000
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.27],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75700
        },
        {
          "type": "I/SigI",
          "value": 2.800
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.60
        }
      ]
    }
  ]

}
  

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


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