Data quality metrics extracted from 6zti.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": "903015475c8bc18de29713a1f625c800",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 75.831,
    "b": 90.725,
    "c": 92.790,
    "alpha": 78.44,
    "beta": 90.26,
    "gamma": 75.41
  },
  "wavelengths": [1.21233],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.91,1.81],
    "number_observations_unique": 161898,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.39
      },
      {
        "type": "R(meas)",
        "value": 0.41
      },
      {
        "type": "R(pim)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 76.0
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.81],
      "number_observations_unique": 8096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.38
        },
        {
          "type": "R(meas)",
          "value": 2.60
        },
        {
          "type": "R(pim)",
          "value": 0.82
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.53
        }
      ]
    }
  ]

}
  

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


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