Data quality metrics extracted from 2bs1.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": "8a2acccc45c8874a6136d93c426e2a3d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 273.1,
    "b": 273.5,
    "c": 273.4,
    "alpha": 63.26,
    "beta": 63.11,
    "gamma": 63.31
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.80],
    "number_observations_unique": 347537,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 15.00
      },
      {
        "type": "Completeness",
        "value": 23.0
      },
      {
        "type": "Redundancy",
        "value": 1.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 10.00
        },
        {
          "type": "Completeness",
          "value": 10.0
        },
        {
          "type": "Redundancy",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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