Data quality metrics extracted from 4hi9.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": "8bad154c02b92341faddd115849bafab",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.144,
    "b": 41.775,
    "c": 46.798,
    "alpha": 78.67,
    "beta": 68.94,
    "gamma": 85.81
  },
  "wavelengths": [0.91974],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.20],
    "number_observations_unique": 75043,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 15.685
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "number_observations_unique": 7229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.99
        },
        {
          "type": "I/SigI",
          "value": 1.327
        },
        {
          "type": "Completeness",
          "value": 90.9
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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