Data quality metrics extracted from 2gac.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": "de2d9370e28b4ae522161134b31682f8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.2,
    "b": 97.3,
    "c": 61.8,
    "alpha": 90.0,
    "beta": 90.3,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [6.0,2.1],
    "number_observations_unique": 30530,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0900000
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 1.93
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.1],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1890000
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 77.8
        },
        {
          "type": "Redundancy",
          "value": 1.65
        }
      ]
    }
  ]

}
  

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


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