Data quality metrics extracted from 3ise.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": "b6ac3d3ae31b0a9432b0520906249d9a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 125.712,
    "b": 203.206,
    "c": 207.865,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.65310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.51,2.800],
    "number_observations_unique": 131241,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17000
      },
      {
        "type": "I/SigI",
        "value": 12.9700
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.90,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75300
        },
        {
          "type": "I/SigI",
          "value": 2.250
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.50
        }
      ]
    }
  ]

}
  

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


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