Data quality metrics extracted from 8t3i.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": "b354e6ba6287a3f3c126a822044f792a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.150,
    "b": 71.398,
    "c": 71.383,
    "alpha": 90.000,
    "beta": 94.705,
    "gamma": 90.000
  },
  "wavelengths": [1.32363],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.553,1.57],
    "number_observations_unique": 63061,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06174
      },
      {
        "type": "R(pim)",
        "value": 0.02589
      },
      {
        "type": "I/SigI",
        "value": 15.17
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.626,1.57],
      "number_observations_unique": 6315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06174
        },
        {
          "type": "R(pim)",
          "value": 0.5632
        },
        {
          "type": "I/SigI",
          "value": 1.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.506
        }
      ]
    }
  ]

}
  

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


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