Data quality metrics extracted from 1e8c.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": "2b7345ba8f1d5cddaf506d02b942955c",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 93.465,
    "b": 99.690,
    "c": 236.146,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910,0.97900,0.85500,0.93000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.700,2.000],
    "number_observations_unique": 323548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06600
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 4.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22000
        },
        {
          "type": "Completeness",
          "value": 91.2
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    }
  ]

}
  

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


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