Data quality metrics extracted from 6y6a.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": "dbc992ee54271fc87d5f28a678113271",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 86.496,
    "b": 172.063,
    "c": 245.616,
    "alpha": 107.09,
    "beta": 97.93,
    "gamma": 93.93
  },
  "wavelengths": [0.99986],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.95,2.65],
    "number_observations_unique": 377799,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.271
      },
      {
        "type": "I/SigI",
        "value": 4.64
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 2.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.81,2.65],
      "number_observations_unique": 13276,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.13
        },
        {
          "type": "I/SigI",
          "value": 1.12
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 2.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.52
        }
      ]
    }
  ]

}
  

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


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