Data quality metrics extracted from 5ron.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": "55a00a86e5ec5e7ebb759a644ee9b30d",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 67.68,
    "b": 67.68,
    "c": 101.78,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.860,1.220],
    "number_observations": 62528,
    "number_observations_unique": 62528,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 24.300
      },
      {
        "type": "Completeness",
        "value": 88.200
      },
      {
        "type": "Redundancy",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.240,1.220],
      "number_observations": 576,
      "number_observations_unique": 576,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 17.000
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [47.860,6.680],
      "number_observations": 477,
      "number_observations_unique": 477,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 36.900
        },
        {
          "type": "Completeness",
          "value": 91.500
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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