Data quality metrics extracted from 4p6y.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": "580cae77b6f4e95f033172eb66ede8d6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 114.26,
    "b": 114.57,
    "c": 114.04,
    "alpha": 114.46,
    "beta": 91.71,
    "gamma": 105.69
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.05,2.20],
    "number_observations_unique": 237152,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08925
      },
      {
        "type": "I/SigI",
        "value": 8.56
      },
      {
        "type": "Completeness",
        "value": 93.54
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        },
        {
          "type": "I/SigI",
          "value": 2.22
        },
        {
          "type": "Completeness",
          "value": 84.76
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    }
  ]

}
  

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


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