Data quality metrics extracted from 2ce9.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": "faaa3f09990e149515e618dde3bf4ff3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 107.810,
    "b": 56.478,
    "c": 126.642,
    "alpha": 90.00,
    "beta": 112.68,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.000,2.120],
    "number_observations_unique": 78005,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06000
      },
      {
        "type": "I/SigI",
        "value": 13.4000
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.12],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25000
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 83.0
        },
        {
          "type": "Redundancy",
          "value": 2.90
        }
      ]
    }
  ]

}
  

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


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