Data quality metrics extracted from 6hth.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": "584639607262682dc7a20a5d24aa804a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.520,
    "b": 70.555,
    "c": 98.232,
    "alpha": 78.36,
    "beta": 75.84,
    "gamma": 85.74
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.757,1.95],
    "number_observations_unique": 125331,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1742
      },
      {
        "type": "I/SigI",
        "value": 4.18
      },
      {
        "type": "Completeness",
        "value": 95.61
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 12675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7794
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "Completeness",
          "value": 96.45
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.408
        }
      ]
    }
  ]

}
  

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


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