Data quality metrics extracted from 8dtq.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": "ca166932cd89bf4c638283a94e9a3d5e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.460,
    "b": 56.261,
    "c": 46.018,
    "alpha": 90.000,
    "beta": 104.344,
    "gamma": 90.000
  },
  "wavelengths": [0.97942],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.58,1.45],
    "number_observations_unique": 33440,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07654
      },
      {
        "type": "R(meas)",
        "value": 0.1082
      },
      {
        "type": "I/SigI",
        "value": 14.40
      },
      {
        "type": "Completeness",
        "value": 99.45
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.504,1.45],
      "number_observations_unique": 3284,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.7004
        },
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "Completeness",
          "value": 98.44
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.673
        }
      ]
    }
  ]

}
  

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


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