Data quality metrics extracted from 9qjz.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": "ccd7b0c12365e6a7a9e79e7d6697035d",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 118.957,
    "b": 118.957,
    "c": 48.322,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97795],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.74,2.31],
    "number_observations_unique": 17376,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.787
      },
      {
        "type": "R(meas)",
        "value": 0.829
      },
      {
        "type": "R(pim)",
        "value": 0.259
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 10.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.941
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.31],
      "number_observations_unique": 1688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.785
        },
        {
          "type": "R(meas)",
          "value": 6.129
        },
        {
          "type": "R(pim)",
          "value": 2.017
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 9.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.319
        }
      ]
    }
  ]

}
  

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


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