Data quality metrics extracted from 6xco.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": "cc6ef07305c499eb4d654f5b5e163320",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.288,
    "b": 104.310,
    "c": 69.316,
    "alpha": 90.000,
    "beta": 114.914,
    "gamma": 90.000
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.14,2.90],
    "number_observations_unique": 19889,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0853
      },
      {
        "type": "R(meas)",
        "value": 0.1206
      },
      {
        "type": "R(pim)",
        "value": 0.0853
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.004,2.9],
      "number_observations_unique": 1983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4017
        },
        {
          "type": "R(meas)",
          "value": 0.5681
        },
        {
          "type": "R(pim)",
          "value": 0.4017
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.724
        }
      ]
    }
  ]

}
  

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


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