Data quality metrics extracted from 1dbw.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": "db4f545f02219e6f88965c4a69b8af55",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.7,
    "b": 42.2,
    "c": 44.6,
    "alpha": 93.2,
    "beta": 104.5,
    "gamma": 101.9
  },
  "wavelengths": [0.93000,0.95000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.6],
    "number_observations_unique": 20628,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0710000
      },
      {
        "type": "I/SigI",
        "value": 10
      },
      {
        "type": "Completeness",
        "value": 73
      },
      {
        "type": "Redundancy",
        "value": 3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.6],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1230000
        },
        {
          "type": "Completeness",
          "value": 20.2
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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