Data quality metrics extracted from 7ztl.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": "9f75d2cd8eed48bc9fb0e96ee126e231",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 86.614,
    "b": 86.614,
    "c": 91.789,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.17,1.90],
    "number_observations_unique": 31825,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1551
      },
      {
        "type": "R(pim)",
        "value": 0.03537
      },
      {
        "type": "I/SigI",
        "value": 11.06
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 19.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.90],
      "number_observations_unique": 3148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.516
        },
        {
          "type": "R(pim)",
          "value": 0.5728
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.568
        }
      ]
    }
  ]

}
  

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


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