Data quality metrics extracted from 9etn.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": "0dbf36b71bc313bdfa8b1d2b57821405",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.514,
    "b": 84.204,
    "c": 59.718,
    "alpha": 90.000,
    "beta": 102.702,
    "gamma": 90.000
  },
  "wavelengths": [0.67020],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.707,1.582],
    "number_observations_unique": 54952,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "R(meas)",
        "value": 0.099
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 86.5
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.786,1.582],
      "number_observations_unique": 2748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.777
        },
        {
          "type": "R(meas)",
          "value": 0.885
        },
        {
          "type": "R(pim)",
          "value": 0.409
        },
        {
          "type": "Completeness",
          "value": 67.9
        },
        {
          "type": "Redundancy",
          "value": 4.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.667
        }
      ]
    }
  ]

}
  

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


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