Data quality metrics extracted from 6nie.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": "1f5117958f0ffbfe085e41ec59d894c5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.358,
    "b": 68.916,
    "c": 79.702,
    "alpha": 115.36,
    "beta": 91.57,
    "gamma": 112.95
  },
  "wavelengths": [1.11000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.03,1.95],
    "number_observations_unique": 149915,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.70
      },
      {
        "type": "Completeness",
        "value": 97.35
      },
      {
        "type": "Redundancy",
        "value": 13.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 7341,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.78
        }
      ]
    }
  ]

}
  

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


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