Data quality metrics extracted from 9h9d.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": "8d9b16dbd52e49db8528358b7a046eab",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 128.317,
    "b": 128.317,
    "c": 125.707,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.82657],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.73,2.09],
    "number_observations_unique": 58978,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.335
      },
      {
        "type": "R(meas)",
        "value": 1.352
      },
      {
        "type": "R(pim)",
        "value": 0.205
      },
      {
        "type": "I/SigI",
        "value": 13.8
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 45.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.866
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.166,2.09],
      "number_observations_unique": 2949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 10.327
        },
        {
          "type": "R(meas)",
          "value": 10.506
        },
        {
          "type": "R(pim)",
          "value": 1.548
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 47.8
        },
        {
          "type": "Redundancy",
          "value": 40.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.538
        }
      ]
    }
  ]

}
  

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


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