Data quality metrics extracted from 9hd5.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "b8cb48065164f1f66b28e8ae0ae02cc3",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 92.635,
    "b": 233.367,
    "c": 54.058,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.37,2.91],
    "number_observations_unique": 16993,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.951
      },
      {
        "type": "R(meas)",
        "value": 0.992
      },
      {
        "type": "R(pim)",
        "value": 0.279
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Completeness",
        "value": 90.8
      },
      {
        "type": "Redundancy",
        "value": 12.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,2.91],
      "number_observations_unique": 849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.048
        },
        {
          "type": "R(meas)",
          "value": 8.493
        },
        {
          "type": "R(pim)",
          "value": 2.606
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.122
        }
      ]
    }
  ]

}
  

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


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