Data quality metrics extracted from 9en7.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": "ea762bcea2c3b17d37f0bc90f2b2da84",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.344,
    "b": 45.496,
    "c": 57.026,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.82,1.19],
    "number_observations_unique": 32496,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06499
      },
      {
        "type": "R(meas)",
        "value": 0.06773
      },
      {
        "type": "R(pim)",
        "value": 0.01881
      },
      {
        "type": "I/SigI",
        "value": 18.30
      },
      {
        "type": "Completeness",
        "value": 91.18
      },
      {
        "type": "Redundancy",
        "value": 12.8
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.233,1.19],
      "number_observations_unique": 856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.536
        },
        {
          "type": "R(meas)",
          "value": 1.597
        },
        {
          "type": "R(pim)",
          "value": 0.4347
        },
        {
          "type": "I/SigI",
          "value": 1.27
        },
        {
          "type": "Completeness",
          "value": 26.81
        },
        {
          "type": "Redundancy",
          "value": 13.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.609
        }
      ]
    }
  ]

}
  

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


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