Data quality metrics extracted from 1a5b.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": "7f99b5c8d92b2e9033a80d6b34ffc77b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 182.6,
    "b": 59.7,
    "c": 67.4,
    "alpha": 90.0,
    "beta": 94.6,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [8.0,2.0],
    "number_observations_unique": 45501,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0570000
      },
      {
        "type": "I/SigI",
        "value": 14.7
      },
      {
        "type": "Completeness",
        "value": 92.8
      },
      {
        "type": "Redundancy",
        "value": 4.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4630000
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 77.8
        },
        {
          "type": "Redundancy",
          "value": 3.2
        }
      ]
    }
  ]

}
  

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


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