Data quality metrics extracted from 8tt2.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": "8b2b6584a52d416976550b32482bad07",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.532,
    "b": 56.790,
    "c": 68.769,
    "alpha": 90.000,
    "beta": 112.438,
    "gamma": 90.000
  },
  "wavelengths": [0.88600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.45,1.33],
    "number_observations_unique": 89288,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 13.3
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.36,1.33],
      "number_observations_unique": 4619,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.504
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.325
        }
      ]
    }
  ]

}
  

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


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