Data quality metrics extracted from 7en9.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": "caa7cb4b4b466934ec023c0468618944",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 54.361,
    "b": 80.319,
    "c": 87.281,
    "alpha": 90.000,
    "beta": 96.963,
    "gamma": 90.000
  },
  "wavelengths": [1.54100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.68,1.9],
    "number_observations_unique": 29294,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1339
      },
      {
        "type": "R(meas)",
        "value": 0.1488
      },
      {
        "type": "R(pim)",
        "value": 0.06396
      },
      {
        "type": "I/SigI",
        "value": 18.24
      },
      {
        "type": "Completeness",
        "value": 99.61
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 2916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3152
        },
        {
          "type": "R(meas)",
          "value": 0.3763
        },
        {
          "type": "R(pim)",
          "value": 0.2016
        },
        {
          "type": "I/SigI",
          "value": 3.17
        },
        {
          "type": "Completeness",
          "value": 99.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    }
  ]

}
  

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


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