Data quality metrics extracted from 6ne7.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": "69cef02644e8a4a0e434d50c982221af",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.286,
    "b": 69.858,
    "c": 78.971,
    "alpha": 90.00,
    "beta": 102.26,
    "gamma": 90.00
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.1,1.99],
    "number_observations_unique": 25551,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.79
      },
      {
        "type": "R(meas)",
        "value": 0.95
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 13.66
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.99],
      "number_observations_unique": 1251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8
        },
        {
          "type": "R(meas)",
          "value": 0.973
        },
        {
          "type": "R(pim)",
          "value": 0.542
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 95
        },
        {
          "type": "Redundancy",
          "value": 3
        },
        {
          "type": "CC(1/2)",
          "value": 0.458
        }
      ]
    }
  ]

}
  

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


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