Data quality metrics extracted from 6h2i.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": "33e771a4f6e08853bfe429b43ae9ecf6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.632,
    "b": 41.523,
    "c": 76.417,
    "alpha": 103.83,
    "beta": 89.99,
    "gamma": 90.79
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.32,2.72],
    "number_observations_unique": 10698,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 84.3
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.72],
      "number_observations_unique": 587,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Completeness",
          "value": 47.0
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    }
  ]

}
  

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


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