Data quality metrics extracted from 1qj9.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": "ef1300077b48d7b7a0a6ee2f5855d401",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 82.3,
    "b": 82.3,
    "c": 208.1,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.90570],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.000,2.100],
    "number_observations_unique": 16165,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07600
      },
      {
        "type": "I/SigI",
        "value": 11.0000
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 3.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31700
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 3.00
        }
      ]
    }
  ]

}
  

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


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