Data quality metrics extracted from 7zaz.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": "1f139c8608dc2356dc1924db5df63d11",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 69.68,
    "b": 102.65,
    "c": 110.27,
    "alpha": 116.23,
    "beta": 101.09,
    "gamma": 92.18
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.799,2.0],
    "number_observations_unique": 175661,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "R(meas)",
        "value": 0.136
      },
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2.0],
      "number_observations_unique": 8274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.099
        },
        {
          "type": "R(meas)",
          "value": 1.308
        },
        {
          "type": "I/SigI",
          "value": 1.099
        },
        {
          "type": "Completeness",
          "value": 92.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.58
        }
      ]
    }
  ]

}
  

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


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