Data quality metrics extracted from 3gn2.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": "833cda4184846deb64fd7d5254c271b3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.895,
    "b": 90.778,
    "c": 82.861,
    "alpha": 90.00,
    "beta": 115.85,
    "gamma": 90.00
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.420,1.600],
    "number_observations_unique": 124512,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06700
      },
      {
        "type": "I/SigI",
        "value": 8.3000
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 4.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35900
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 93.7
        },
        {
          "type": "Redundancy",
          "value": 4.30
        }
      ]
    }
  ]

}
  

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


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