Data quality metrics extracted from 9feh.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": "c9ec5a968d9fb5ad599adecbd23919b7",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 109.37,
    "b": 109.37,
    "c": 48.80,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.36,1.99],
    "number_observations_unique": 23077,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3426
      },
      {
        "type": "R(meas)",
        "value": 0.3512
      },
      {
        "type": "R(pim)",
        "value": 0.07721
      },
      {
        "type": "I/SigI",
        "value": 7.72
      },
      {
        "type": "Completeness",
        "value": 99.93
      },
      {
        "type": "Redundancy",
        "value": 20.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.061,1.99],
      "number_observations_unique": 2291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.814
        },
        {
          "type": "R(meas)",
          "value": 3.908
        },
        {
          "type": "R(pim)",
          "value": 0.8495
        },
        {
          "type": "I/SigI",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 99.91
        },
        {
          "type": "Redundancy",
          "value": 21.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.449
        }
      ]
    }
  ]

}
  

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


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