Data quality metrics extracted from 8goh.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": "9dbeff76c7fed5d2439af7e6063357e4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.257,
    "b": 50.935,
    "c": 40.849,
    "alpha": 90.00,
    "beta": 113.84,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.36,1.1],
    "number_observations_unique": 55084,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08049
      },
      {
        "type": "R(meas)",
        "value": 0.08759
      },
      {
        "type": "R(pim)",
        "value": 0.03409
      },
      {
        "type": "I/SigI",
        "value": 11.01
      },
      {
        "type": "Completeness",
        "value": 99.76
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.139,1.1],
      "number_observations_unique": 5465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.193
        },
        {
          "type": "R(meas)",
          "value": 1.307
        },
        {
          "type": "R(pim)",
          "value": 0.5243
        },
        {
          "type": "I/SigI",
          "value": 1.32
        },
        {
          "type": "Completeness",
          "value": 99.24
        },
        {
          "type": "Redundancy",
          "value": 6.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.727
        }
      ]
    }
  ]

}
  

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


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