Data quality metrics extracted from 8tg3.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": "5d6692b35ae24682cc58ae8d9523170c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.891,
    "b": 55.883,
    "c": 42.403,
    "alpha": 90.00,
    "beta": 97.74,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.88,1.47],
    "number_observations_unique": 29455,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 14.7
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 5.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.47],
      "number_observations_unique": 1392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.762
        },
        {
          "type": "R(pim)",
          "value": 0.348
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 90.9
        },
        {
          "type": "Redundancy",
          "value": 5.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.809
        }
      ]
    }
  ]

}
  

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


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