Data quality metrics extracted from 9iz8.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": "a796c8ac0a784ea1151f9c07bfd968b2",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 67.474,
    "b": 67.474,
    "c": 133.838,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.25,1.54],
    "number_observations": 470568,
    "number_observations_unique": 39568,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "R(meas)",
        "value": 0.054
      },
      {
        "type": "R(pim)",
        "value": 0.013
      },
      {
        "type": "I/SigI",
        "value": 24.7
      },
      {
        "type": "Completeness",
        "value": 85.1
      },
      {
        "type": "Redundancy",
        "value": 11.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.54],
      "number_observations": 2185,
      "number_observations_unique": 1772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.406
        },
        {
          "type": "R(meas)",
          "value": 0.560
        },
        {
          "type": "R(pim)",
          "value": 0.384
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    }
  ]

}
  

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


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