Data quality metrics extracted from 9f3z.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": "245e251593df83ec0c08df1c5cb307e6",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 106.050,
    "b": 56.690,
    "c": 182.296,
    "alpha": 90.00,
    "beta": 92.87,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.61,3.50],
    "number_observations": 93984,
    "number_observations_unique": 13988,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.452
      },
      {
        "type": "R(meas)",
        "value": 0.490
      },
      {
        "type": "R(pim)",
        "value": 0.187
      },
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.83,3.50],
      "number_observations": 22297,
      "number_observations_unique": 3318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.230
        },
        {
          "type": "R(meas)",
          "value": 1.333
        },
        {
          "type": "R(pim)",
          "value": 0.510
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.717
        }
      ]
    }
  ]

}
  

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


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