Data quality metrics extracted from 5i7h.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": "c51a425ac868a20cfdff8dc07a7410dd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.591,
    "b": 76.089,
    "c": 80.716,
    "alpha": 94.33,
    "beta": 108.32,
    "gamma": 107.66
  },
  "wavelengths": [0.91843],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.25,2.57],
    "number_observations_unique": 42814,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.158
      },
      {
        "type": "I/SigI",
        "value": 4.4
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.66,2.57],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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