Data quality metrics extracted from 9q8f.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": "a20432a8c4e764f9eea5933e810f829d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 48.984,
    "b": 102.102,
    "c": 102.944,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.96,1.50],
    "number_observations_unique": 82472,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0907
      },
      {
        "type": "R(meas)",
        "value": 0.09506
      },
      {
        "type": "R(pim)",
        "value": 0.02792
      },
      {
        "type": "I/SigI",
        "value": 21.94
      },
      {
        "type": "Completeness",
        "value": 98.69
      },
      {
        "type": "Redundancy",
        "value": 11.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.5],
      "number_observations_unique": 7750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6294
        },
        {
          "type": "R(meas)",
          "value": 0.6584
        },
        {
          "type": "R(pim)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 4.95
        },
        {
          "type": "Completeness",
          "value": 94.29
        },
        {
          "type": "Redundancy",
          "value": 11.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    }
  ]

}
  

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


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