Data quality metrics extracted from 4b1g.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": "610625a3b6db95bb9d85fb567799ba5e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.759,
    "b": 66.387,
    "c": 89.323,
    "alpha": 90.00,
    "beta": 95.26,
    "gamma": 90.00
  },
  "wavelengths": [0.97900,0.97500,0.98200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.99,1.83],
    "number_observations_unique": 39497,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 12.40
      },
      {
        "type": "Completeness",
        "value": 86.3
      },
      {
        "type": "Redundancy",
        "value": 6.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.83],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 47.9
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    }
  ]

}
  

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


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