Data quality metrics extracted from 9giz.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": "386895624b9fedcf14382cc8e0edd723",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 69.873,
    "b": 108.335,
    "c": 114.218,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [108.33,1.85],
    "number_observations": 1028851,
    "number_observations_unique": 74920,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "R(meas)",
        "value": 0.152
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "number_observations": 151930,
      "number_observations_unique": 10804,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.775
        },
        {
          "type": "R(meas)",
          "value": 5.991
        },
        {
          "type": "R(pim)",
          "value": 1.580
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Redundancy",
          "value": 14.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.442
        }
      ]
    }
  ]

}
  

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


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