Data quality metrics extracted from 9z1d.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": "124d180ed40e37cbd7dd1073ec85fc92",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 72.375,
    "b": 124.537,
    "c": 136.541,
    "alpha": 90.000,
    "beta": 90.174,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.19,3.06],
    "number_observations_unique": 22756,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "R(meas)",
        "value": 0.153
      },
      {
        "type": "R(pim)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.724
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.27,3.06],
      "number_observations_unique": 4075,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.300
        },
        {
          "type": "R(meas)",
          "value": 1.523
        },
        {
          "type": "R(pim)",
          "value": 0.789
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    }
  ]

}
  

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


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