Data quality metrics extracted from 7aa7.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": "c35d16f2fd013c46055946a6b3fd8112",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 28.364,
    "b": 37.169,
    "c": 62.482,
    "alpha": 81.751,
    "beta": 89.602,
    "gamma": 67.818
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.92,1.45],
    "number_observations_unique": 41242,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "R(pim)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.45],
      "number_observations_unique": 2051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6
        },
        {
          "type": "R(pim)",
          "value": 0.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.46
        }
      ]
    }
  ]

}
  

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


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