Data quality metrics extracted from 6h4w.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": "015a5721fc67056c503d4faf2e42d8ea",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.557,
    "b": 101.487,
    "c": 142.308,
    "alpha": 90.00,
    "beta": 99.07,
    "gamma": 90.00
  },
  "wavelengths": [1.54190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.92,2.81],
    "number_observations_unique": 39555,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.384
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 8.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.942
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.92,2.81],
      "number_observations_unique": 4429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.96
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 7.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.381
        }
      ]
    }
  ]

}
  

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


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