Data quality metrics extracted from 8tne.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": "cdde28153f86d0d03629429567b8ef7e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 228.797,
    "b": 49.272,
    "c": 100.588,
    "alpha": 90.00,
    "beta": 101.03,
    "gamma": 90.00
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.76,2.30],
    "number_observations": 327785,
    "number_observations_unique": 48330,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "R(meas)",
        "value": 0.114
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.30],
      "number_observations": 19428,
      "number_observations_unique": 3213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.283
        },
        {
          "type": "R(meas)",
          "value": 1.401
        },
        {
          "type": "R(pim)",
          "value": 0.552
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Redundancy",
          "value": 6.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    }
  ]

}
  

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


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