Data quality metrics extracted from 9ch4.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": "44d8c25e14e8fe41ee7f6a49c16e6f19",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 165.773,
    "b": 95.628,
    "c": 112.372,
    "alpha": 90.00,
    "beta": 123.96,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.20,2.67],
    "number_observations": 288789,
    "number_observations_unique": 41251,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.291
      },
      {
        "type": "R(meas)",
        "value": 0.314
      },
      {
        "type": "R(pim)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.67],
      "number_observations": 32111,
      "number_observations_unique": 4586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.550
        },
        {
          "type": "R(meas)",
          "value": 1.674
        },
        {
          "type": "R(pim)",
          "value": 0.627
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.522
        }
      ]
    }
  ]

}
  

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


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