Data quality metrics extracted from 7z4d.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": "e97bc8e80d0006a8e607a1c299e9a3cc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 88.636,
    "b": 95.509,
    "c": 169.797,
    "alpha": 80.83,
    "beta": 78.04,
    "gamma": 62.34
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.49,3.1],
    "number_observations_unique": 85696,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3403
      },
      {
        "type": "I/SigI",
        "value": 7.62
      },
      {
        "type": "Completeness",
        "value": 89.18
      },
      {
        "type": "Redundancy",
        "value": 10.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.211,3.1],
      "number_observations_unique": 4963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.176
        },
        {
          "type": "I/SigI",
          "value": 1.31
        },
        {
          "type": "Completeness",
          "value": 56.74
        },
        {
          "type": "Redundancy",
          "value": 10.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.446
        }
      ]
    }
  ]

}
  

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


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