Data quality metrics extracted from 6hsh.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": "907ea55f05e29755ce4c2479139c5784",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.75,
    "b": 70.80,
    "c": 97.82,
    "alpha": 78.03,
    "beta": 75.67,
    "gamma": 85.74
  },
  "wavelengths": [1.07252],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.47,1.545],
    "number_observations_unique": 218343,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05004
      },
      {
        "type": "I/SigI",
        "value": 8.31
      },
      {
        "type": "Completeness",
        "value": 82.81
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.6,1.545],
      "number_observations_unique": 11192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6931
        },
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "Completeness",
          "value": 42.36
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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