Data quality metrics extracted from 1e8s.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": "a533e938fc99ac085d0e38abfb552b80",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 143.33,
    "b": 143.33,
    "c": 60.36,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.77570,1.77530,1.03300,0.93260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,4.000],
    "number_observations_unique": 5053,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05900
      },
      {
        "type": "I/SigI",
        "value": 5.9000
      },
      {
        "type": "Completeness",
        "value": 90.3
      },
      {
        "type": "Redundancy",
        "value": 2.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.10,4.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.54100
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 59.6
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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