Data quality metrics extracted from 1gqi.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": "045b9a1a8e09ad06a478cf61fa7cd17b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 69.912,
    "b": 74.682,
    "c": 87.587,
    "alpha": 115.18,
    "beta": 93.14,
    "gamma": 109.33
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.484],
    "number_observations_unique": 235655,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07300
      },
      {
        "type": "I/SigI",
        "value": 7.1000
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 4.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.56,1.48],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34500
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 90.4
        },
        {
          "type": "Redundancy",
          "value": 3.60
        }
      ]
    }
  ]

}
  

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


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