Data quality metrics extracted from 6szh.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": "9a8640c4f65024c0794a6dff82df455b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 120.30,
    "b": 64.12,
    "c": 71.60,
    "alpha": 90.0,
    "beta": 92.7,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.521,1.647],
    "number_observations_unique": 52406,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 21.6
      },
      {
        "type": "Completeness",
        "value": 85.1
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.736,1.647],
      "number_observations_unique": 2618,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.582
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 32.4
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    }
  ]

}
  

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


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