Data quality metrics extracted from 8t9u.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": "11f9620d29d9e2ebd072764b642a09d0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.021,
    "b": 60.622,
    "c": 44.562,
    "alpha": 90.000,
    "beta": 116.794,
    "gamma": 90.000
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.26,1.47],
    "number_observations_unique": 34426,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0626
      },
      {
        "type": "R(meas)",
        "value": 0.07003
      },
      {
        "type": "R(pim)",
        "value": 0.0307
      },
      {
        "type": "I/SigI",
        "value": 14.56
      },
      {
        "type": "Completeness",
        "value": 98.64
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.523,1.47],
      "number_observations_unique": 3415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3442
        },
        {
          "type": "R(meas)",
          "value": 0.3861
        },
        {
          "type": "R(pim)",
          "value": 0.1715
        },
        {
          "type": "I/SigI",
          "value": 3.37
        },
        {
          "type": "Completeness",
          "value": 98.13
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    }
  ]

}
  

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


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