Data quality metrics extracted from 4zah.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": "7e397a0d6012f63bb8809a5fca53bf60",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 88.071,
    "b": 103.935,
    "c": 109.386,
    "alpha": 72.10,
    "beta": 73.55,
    "gamma": 74.08
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.207,2.240],
    "number_observations": 2362623,
    "number_observations_unique": 233383,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.25300
      },
      {
        "type": "R(meas)",
        "value": 0.332
      },
      {
        "type": "I/SigI",
        "value": 5.5800
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 7.630
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.24],
      "number_observations": 24887,
      "number_observations_unique": 13649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.46500
        },
        {
          "type": "R(meas)",
          "value": 12.315
        },
        {
          "type": "I/SigI",
          "value": 1.350
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    }
  ]

}
  

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


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