Data quality metrics extracted from 6syu.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": "927f0a6412361f96e23dad2170cc926c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.686,
    "b": 44.340,
    "c": 50.979,
    "alpha": 77.236,
    "beta": 67.267,
    "gamma": 70.577
  },
  "wavelengths": [0.91837],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.58,1.33],
    "number_observations_unique": 57996,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04829
      },
      {
        "type": "R(meas)",
        "value": 0.05696
      },
      {
        "type": "R(pim)",
        "value": 0.02988
      },
      {
        "type": "I/SigI",
        "value": 15.38
      },
      {
        "type": "Completeness",
        "value": 77.0
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.33],
      "number_observations_unique": 1682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1664
        },
        {
          "type": "R(meas)",
          "value": 0.2221
        },
        {
          "type": "R(pim)",
          "value": 0.1456
        },
        {
          "type": "I/SigI",
          "value": 3.40
        },
        {
          "type": "Completeness",
          "value": 22.3
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    }
  ]

}
  

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


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