Data quality metrics extracted from 1gun.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": "ab5bc8b90b969519a7059ded4ad7f23b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 56.81,
    "b": 78.38,
    "c": 95.24,
    "alpha": 90.00,
    "beta": 90.01,
    "gamma": 90.00
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.830],
    "number_observations_unique": 36043,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05500
      },
      {
        "type": "I/SigI",
        "value": 16.7000
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 2.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.83],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33600
        },
        {
          "type": "I/SigI",
          "value": 3.700
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    }
  ]

}
  

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


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