Data quality metrics extracted from 6ch0.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": "43b3f472658cbcffdb4b88c3ca075c33",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 110.84,
    "b": 113.50,
    "c": 79.10,
    "alpha": 90.00,
    "beta": 108.91,
    "gamma": 90.00
  },
  "wavelengths": [1.03312],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.83,2.15],
    "number_observations_unique": 50025,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 11.71
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 4.35
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.15],
      "number_observations_unique": 6321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 4.52
        }
      ]
    }
  ]

}
  

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


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