Data quality metrics extracted from 3bcy.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": "79e49ffb54235b9f9a3e293e51f698b3",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 41.194,
    "b": 41.194,
    "c": 184.403,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96420,0.97900,0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.61],
    "number_observations_unique": 20312,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 73.4
      },
      {
        "type": "Completeness",
        "value": 92.38
      },
      {
        "type": "Redundancy",
        "value": 12.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.61],
      "number_observations_unique": 1560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 11.5
        },
        {
          "type": "Completeness",
          "value": 58.6
        },
        {
          "type": "Redundancy",
          "value": 3.0
        }
      ]
    }
  ]

}
  

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


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