Data quality metrics extracted from 3a5f.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": "79c8e57170b4f5615f9be2857fb8290b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 143.358,
    "b": 54.836,
    "c": 94.304,
    "alpha": 90.00,
    "beta": 126.29,
    "gamma": 90.00
  },
  "wavelengths": [0.95360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.79,1.19],
    "number_observations_unique": 188454,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 13.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.19],
      "number_observations_unique": 27400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.512
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 5
        }
      ]
    }
  ]

}
  

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


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