Data quality metrics extracted from 1g6q.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": "3d8456cd67e942ead25f4eb5579cac1e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 84.10,
    "b": 129.43,
    "c": 101.43,
    "alpha": 90.00,
    "beta": 102.74,
    "gamma": 90.00
  },
  "wavelengths": [0.97840,1.01000,0.95000,0.97880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.0,2.9],
    "number_observations_unique": 90403,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0620000
      },
      {
        "type": "I/SigI",
        "value": 17.4
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.99,2.89],
      "number_observations_unique": 8739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2350000
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 95.9
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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