Data quality metrics extracted from 6h28.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": "d0f6711b0ef85d9f5941267c8dba44ff",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.59,
    "b": 41.70,
    "c": 76.76,
    "alpha": 101.31,
    "beta": 90.02,
    "gamma": 90.05
  },
  "wavelengths": [0.97500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.89,1.19],
    "number_observations_unique": 458598,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 83.8
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.21,1.19],
      "number_observations_unique": 12483,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.461
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 45.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    }
  ]

}
  

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


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