Data quality metrics extracted from 8qt8.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": "36b29670e2bb3b8d266fb8d74c1f0275",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.106,
    "b": 73.339,
    "c": 55.229,
    "alpha": 90.00,
    "beta": 95.17,
    "gamma": 90.00
  },
  "wavelengths": [0.91880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.00,1.65],
    "number_observations": 232753,
    "number_observations_unique": 34505,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.091
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "number_observations_unique": 1718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.837
        },
        {
          "type": "R(meas)",
          "value": 0.904
        },
        {
          "type": "R(pim)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.804
        }
      ]
    }
  ]

}
  

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


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