Data quality metrics extracted from 6hxh.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": "d8a021aa059b0c2e234eb49f01425c7d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 150.364,
    "b": 154.011,
    "c": 154.087,
    "alpha": 91.53,
    "beta": 110.04,
    "gamma": 107.46
  },
  "wavelengths": [0.99998],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.46,3.30],
    "number_observations_unique": 176777,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.201
      },
      {
        "type": "I/SigI",
        "value": 8.38
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 7.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.38,3.30],
      "number_observations_unique": 98495,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.80
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "Completeness",
          "value": 95.7
        },
        {
          "type": "Redundancy",
          "value": 7.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.283
        }
      ]
    }
  ]

}
  

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


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