Data quality metrics extracted from 4bdm.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": "6f18699323800deab17f6c4472c44e03",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 85.688,
    "b": 101.019,
    "c": 126.996,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.97,3.40],
    "number_observations_unique": 14147,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.27
      },
      {
        "type": "I/SigI",
        "value": 6.60
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.49,3.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.64
        },
        {
          "type": "I/SigI",
          "value": 2.50
        },
        {
          "type": "Completeness",
          "value": 95.1
        },
        {
          "type": "Redundancy",
          "value": 3.4
        }
      ]
    }
  ]

}
  

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


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