Data quality metrics extracted from 9i3g.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": "7fe9344fa37e59efa01cfde07e30937d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 184.334,
    "b": 118.639,
    "c": 56.973,
    "alpha": 90.00,
    "beta": 92.85,
    "gamma": 90.00
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.726,2.383],
    "number_observations_unique": 48840,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(pim)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.424,2.383],
      "number_observations_unique": 2381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.165
        },
        {
          "type": "R(pim)",
          "value": 1.674
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.371
        }
      ]
    }
  ]

}
  

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


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