Data quality metrics extracted from 9hfz.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": "770677fd675d7c609989e3afb1174061",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 112.91,
    "b": 145.91,
    "c": 146.21,
    "alpha": 90.000,
    "beta": 95.628,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.11,2.80],
    "number_observations_unique": 222592,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1935
      },
      {
        "type": "R(meas)",
        "value": 0.2622
      },
      {
        "type": "R(pim)",
        "value": 0.1759
      },
      {
        "type": "I/SigI",
        "value": 2.83
      },
      {
        "type": "Completeness",
        "value": 97.93
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.80],
      "number_observations_unique": 7232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.922
        },
        {
          "type": "R(meas)",
          "value": 2.605
        },
        {
          "type": "R(pim)",
          "value": 1.747
        },
        {
          "type": "I/SigI",
          "value": 0.38
        },
        {
          "type": "Completeness",
          "value": 93.02
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.143
        }
      ]
    }
  ]

}
  

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


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