Data quality metrics extracted from 7dqz.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": "1b05660fb9c1e33dcfd3dfefcb0c745c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.484,
    "b": 60.766,
    "c": 68.476,
    "alpha": 91.307,
    "beta": 102.586,
    "gamma": 108.657
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.59,1.99],
    "number_observations_unique": 52837,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 2.0
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,1.99],
      "number_observations_unique": 15136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        }
      ]
    }
  ]

}
  

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


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