Data quality metrics extracted from 9hh3.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": "abe9e8d3ccff54fb880a7d17a3b38b94",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.80,
    "b": 199.15,
    "c": 75.35,
    "alpha": 90.00,
    "beta": 99.33,
    "gamma": 90.00
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.36,2.26],
    "number_observations_unique": 99086,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1079
      },
      {
        "type": "R(meas)",
        "value": 0.1159
      },
      {
        "type": "R(pim)",
        "value": 0.0417
      },
      {
        "type": "I/SigI",
        "value": 13.37
      },
      {
        "type": "Completeness",
        "value": 99.62
      },
      {
        "type": "Redundancy",
        "value": 7.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.345,2.264],
      "number_observations_unique": 9564,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.321
        },
        {
          "type": "R(pim)",
          "value": 0.518
        },
        {
          "type": "Completeness",
          "value": 96.66
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.564
        }
      ]
    }
  ]

}
  

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


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