Data quality metrics extracted from 9d92.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": "f26c2aca1c5e7cc2704fce75d967eecc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 86.663,
    "b": 72.150,
    "c": 119.518,
    "alpha": 90.000,
    "beta": 109.785,
    "gamma": 90.000
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.75,3.06],
    "number_observations_unique": 28082,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2755
      },
      {
        "type": "I/SigI",
        "value": 3.10
      },
      {
        "type": "Completeness",
        "value": 98.16
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.14,3.06],
      "number_observations_unique": 2140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.18
        },
        {
          "type": "I/SigI",
          "value": 0.52
        },
        {
          "type": "Completeness",
          "value": 97.79
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.343
        }
      ]
    }
  ]

}
  

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


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