Data quality metrics extracted from 9azo.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": "0a6929932bb85058b932641dce44e5e9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 79.151,
    "b": 157.864,
    "c": 95.011,
    "alpha": 90.000,
    "beta": 114.449,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.44,2.34],
    "number_observations_unique": 89100,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1977
      },
      {
        "type": "R(meas)",
        "value": 0.2728
      },
      {
        "type": "I/SigI",
        "value": 2.90
      },
      {
        "type": "Completeness",
        "value": 97.66
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.948
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.4,2.34],
      "number_observations_unique": 9129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7477
        },
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "Completeness",
          "value": 79.50
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.515
        }
      ]
    }
  ]

}
  

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


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