Data quality metrics extracted from 6hey.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": "78e732b83e07a36dbfb07d3d84251f14",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.804,
    "b": 107.120,
    "c": 40.516,
    "alpha": 90.00,
    "beta": 108.72,
    "gamma": 90.00
  },
  "wavelengths": [1.03318],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.373,1.367],
    "number_observations_unique": 54051,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.173
      },
      {
        "type": "I/SigI",
        "value": 6.97
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 6.34
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.367],
      "number_observations_unique": 7233,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.53
        },
        {
          "type": "Completeness",
          "value": 79.9
        },
        {
          "type": "Redundancy",
          "value": 4.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.175
        }
      ]
    }
  ]

}
  

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


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