Data quality metrics extracted from 1n9e.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": "d8d32c140728212627f0bb5ef71ec7eb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 248.442,
    "b": 121.125,
    "c": 151.841,
    "alpha": 90.00,
    "beta": 124.64,
    "gamma": 90.00
  },
  "wavelengths": [0.99184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.600,1.650],
    "number_observations_unique": 419014,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 9.1000
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 2.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Redundancy",
          "value": 2.60
        }
      ]
    }
  ]

}
  

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


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