Data quality metrics extracted from 6tqx.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": "f5517c217f8c121213499749e55a13fc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.335,
    "b": 60.493,
    "c": 95.601,
    "alpha": 90.000,
    "beta": 106.623,
    "gamma": 90.000
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.49,2.05],
    "number_observations_unique": 38704,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.110
      },
      {
        "type": "R(pim)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 6.50
      },
      {
        "type": "Completeness",
        "value": 98.00
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.05],
      "number_observations_unique": 3903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.390
        },
        {
          "type": "R(meas)",
          "value": 0.543
        },
        {
          "type": "R(pim)",
          "value": 0.377
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    }
  ]

}
  

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


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