Data quality metrics extracted from 9eur.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": "08f42bc650cd7a2d9e28eb987ec3367c",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 44.979,
    "b": 53.680,
    "c": 113.957,
    "alpha": 90.000,
    "beta": 100.819,
    "gamma": 90.000
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.402,2.11],
    "number_observations_unique": 15279,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.137
      },
      {
        "type": "R(meas)",
        "value": 0.162
      },
      {
        "type": "R(pim)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [48.402,8.96],
      "number_observations_unique": 216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "R(pim)",
          "value": 0.043
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.11],
      "number_observations_unique": 1246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.153
        },
        {
          "type": "R(meas)",
          "value": 2.538
        },
        {
          "type": "R(pim)",
          "value": 1.328
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.439
        }
      ]
    }
  ]

}
  

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


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