Data quality metrics extracted from 8bg1.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": "db9af10f34a1dfde6b0941456bf9cdb8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 345.27,
    "b": 54.37,
    "c": 214.69,
    "alpha": 90.00,
    "beta": 105.88,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.83,2.88],
    "number_observations_unique": 85773,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1365
      },
      {
        "type": "R(meas)",
        "value": 0.1484
      },
      {
        "type": "R(pim)",
        "value": 0.05722
      },
      {
        "type": "I/SigI",
        "value": 9.38
      },
      {
        "type": "Completeness",
        "value": 96.95
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.983,2.88],
      "number_observations_unique": 7494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.604
        },
        {
          "type": "R(meas)",
          "value": 1.75
        },
        {
          "type": "R(pim)",
          "value": 0.6858
        },
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.535
        }
      ]
    }
  ]

}
  

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


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