Data quality metrics extracted from 6zsl.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": "b6df117325aeeaadcb9bc0ffebf1e3fb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.151,
    "b": 70.120,
    "c": 84.558,
    "alpha": 102.466,
    "beta": 95.646,
    "gamma": 112.790
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.12,1.94],
    "number_observations_unique": 86341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 11.1
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.94],
      "number_observations_unique": 4418,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.904
        },
        {
          "type": "R(pim)",
          "value": 0.612
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.669
        }
      ]
    }
  ]

}
  

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


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