Data quality metrics extracted from 9bnw.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": "f148a1f056359837c5e9901a27246c2f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.634,
    "b": 52.778,
    "c": 44.865,
    "alpha": 90.000,
    "beta": 102.981,
    "gamma": 90.000
  },
  "wavelengths": [0.91976],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.97,1.30],
    "number_observations_unique": 54380,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 13.7
      },
      {
        "type": "Completeness",
        "value": 86.2
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.322,1.30],
      "number_observations_unique": 2842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.546
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 90.1
        },
        {
          "type": "Redundancy",
          "value": 4.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.315
        }
      ]
    }
  ]

}
  

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


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