Data quality metrics extracted from 8fgn.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": "adc5c628167310ec5a9d3b7207a13719",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.33,
    "b": 151.58,
    "c": 107.85,
    "alpha": 90.00,
    "beta": 91.09,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.79,2.20],
    "number_observations": 340575,
    "number_observations_unique": 96389,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.155
      },
      {
        "type": "R(meas)",
        "value": 0.183
      },
      {
        "type": "R(pim)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations": 16553,
      "number_observations_unique": 4718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.469
        },
        {
          "type": "R(meas)",
          "value": 1.725
        },
        {
          "type": "R(pim)",
          "value": 0.899
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.301
        }
      ]
    }
  ]

}
  

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


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