Data quality metrics extracted from 9q4d.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": "cba0e65f0b22aaf25dabc263dce305d2",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 83.021,
    "b": 83.021,
    "c": 56.840,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.95,1.302],
    "number_observations_unique": 51538,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1133
      },
      {
        "type": "R(meas)",
        "value": 0.1161
      },
      {
        "type": "R(pim)",
        "value": 0.02537
      },
      {
        "type": "I/SigI",
        "value": 12.66
      },
      {
        "type": "Completeness",
        "value": 93.98
      },
      {
        "type": "Redundancy",
        "value": 19.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.348,1.302],
      "number_observations_unique": 3440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.614
        },
        {
          "type": "R(meas)",
          "value": 3.75
        },
        {
          "type": "R(pim)",
          "value": 0.9742
        },
        {
          "type": "I/SigI",
          "value": 0.62
        },
        {
          "type": "Completeness",
          "value": 63.61
        },
        {
          "type": "Redundancy",
          "value": 13.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.346
        }
      ]
    }
  ]

}
  

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


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