Data quality metrics extracted from 9goz.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": "49d15ae8330a7c25a8f55b26bce5a946",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 83.259,
    "b": 83.259,
    "c": 297.519,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.89,1.40],
    "number_observations_unique": 228072,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.133
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations": 90175,
      "number_observations_unique": 11284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.817
        },
        {
          "type": "R(meas)",
          "value": 0.873
        },
        {
          "type": "R(pim)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Redundancy",
          "value": 8.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    }
  ]

}
  

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


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