Data quality metrics extracted from 8g9q.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": "4241dc2ab1b342b9e2be950fcc825aa2",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 67.159,
    "b": 100.689,
    "c": 47.776,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.31,1.40],
    "number_observations_unique": 63411,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07486
      },
      {
        "type": "R(meas)",
        "value": 0.08131
      },
      {
        "type": "R(pim)",
        "value": 0.03128
      },
      {
        "type": "I/SigI",
        "value": 9.31
      },
      {
        "type": "Completeness",
        "value": 97.96
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations_unique": 6055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.026
        },
        {
          "type": "R(meas)",
          "value": 1.117
        },
        {
          "type": "R(pim)",
          "value": 0.4342
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "Completeness",
          "value": 95.19
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    }
  ]

}
  

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


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