Data quality metrics extracted from 4is0.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": "c20db2fc6bf3ab70bf87b5dc61de793f",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 57.600,
    "b": 57.600,
    "c": 140.176,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03438],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.64,1.72],
    "number_observations_unique": 29422,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 19.62
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 16.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.72],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.609
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 7.2
        }
      ]
    }
  ]

}
  

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


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