Data quality metrics extracted from 7hh2.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": "785a55c56d7e4b078cf835adfa7e9b77",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 41.605,
    "b": 42.286,
    "c": 159.243,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91808],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.62,1.78],
    "number_observations": 102617,
    "number_observations_unique": 24619,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.138
      },
      {
        "type": "R(meas)",
        "value": 0.157
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 88.6
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.78],
      "number_observations": 14853,
      "number_observations_unique": 3783,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.500
        },
        {
          "type": "R(meas)",
          "value": 1.733
        },
        {
          "type": "R(pim)",
          "value": 0.846
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.382
        }
      ]
    }
  ]

}
  

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


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