Data quality metrics extracted from 9tz6.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "ef6049bdcb6a71913b6baeb777ffb326",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 86.878,
    "b": 146.842,
    "c": 154.688,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.344,2.545],
    "number_observations_unique": 13692,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.208
      },
      {
        "type": "R(meas)",
        "value": 0.216
      },
      {
        "type": "R(pim)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 89.8
      },
      {
        "type": "Redundancy",
        "value": 13.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.881,2.545],
      "number_observations_unique": 686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.687
        },
        {
          "type": "R(meas)",
          "value": 1.828
        },
        {
          "type": "R(pim)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 69.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.666
        }
      ]
    }
  ]

}
  

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


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