Data quality metrics extracted from 8qai.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": "1742ba006006734a782c7e955130f549",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.207,
    "b": 54.025,
    "c": 74.930,
    "alpha": 99.40,
    "beta": 100.94,
    "gamma": 105.33
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.63,2.5],
    "number_observations_unique": 23776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08575
      },
      {
        "type": "R(meas)",
        "value": 0.1068
      },
      {
        "type": "R(pim)",
        "value": 0.06252
      },
      {
        "type": "I/SigI",
        "value": 9.11
      },
      {
        "type": "Completeness",
        "value": 98.44
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 2330,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2149
        },
        {
          "type": "R(meas)",
          "value": 0.2704
        },
        {
          "type": "R(pim)",
          "value": 0.1616
        },
        {
          "type": "I/SigI",
          "value": 1.79
        },
        {
          "type": "Completeness",
          "value": 97.24
        },
        {
          "type": "Redundancy",
          "value": 2.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.923
        }
      ]
    }
  ]

}
  

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


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