Data quality metrics extracted from 1e3j.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": "8a3da635dd4c16a829d1e812f28d7bf3",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 78.822,
    "b": 98.395,
    "c": 120.924,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99980,1.18070,1.28250,1.28290],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.000,2.300],
    "number_observations_unique": 21214,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04900
      },
      {
        "type": "I/SigI",
        "value": 44.9000
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 13.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20500
        },
        {
          "type": "I/SigI",
          "value": 7.900
        },
        {
          "type": "Completeness",
          "value": 95.5
        },
        {
          "type": "Redundancy",
          "value": 11.30
        }
      ]
    }
  ]

}
  

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


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