Data quality metrics extracted from 8ty3.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": "39508d56c32c52aa90e793f08445d6f5",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 51.532,
    "b": 80.228,
    "c": 89.337,
    "alpha": 90.000,
    "beta": 96.503,
    "gamma": 90.000
  },
  "wavelengths": [1.54300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.45,1.85],
    "number_observations_unique": 30875,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03185
      },
      {
        "type": "R(meas)",
        "value": 0.04504
      },
      {
        "type": "R(pim)",
        "value": 0.03185
      },
      {
        "type": "I/SigI",
        "value": 13.69
      },
      {
        "type": "Completeness",
        "value": 96.88
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.916,1.85],
      "number_observations_unique": 3102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3895
        },
        {
          "type": "R(meas)",
          "value": 0.5509
        },
        {
          "type": "R(pim)",
          "value": 0.3895
        },
        {
          "type": "I/SigI",
          "value": 2.55
        },
        {
          "type": "Completeness",
          "value": 99.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    }
  ]

}
  

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


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