Data quality metrics extracted from 1qjd.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": "0ed4bf3f138309850db7121c68ee7688",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.393,
    "b": 91.946,
    "c": 78.288,
    "alpha": 90.00,
    "beta": 91.09,
    "gamma": 90.00
  },
  "wavelengths": [1.48800,1.73600,1.73800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.000,1.800],
    "number_observations_unique": 54988,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08300
      },
      {
        "type": "I/SigI",
        "value": 13.2000
      },
      {
        "type": "Completeness",
        "value": 92.5
      },
      {
        "type": "Redundancy",
        "value": 7.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20700
        },
        {
          "type": "I/SigI",
          "value": 6.290
        },
        {
          "type": "Completeness",
          "value": 94.0
        },
        {
          "type": "Redundancy",
          "value": 3.46
        }
      ]
    }
  ]

}
  

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


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