Data quality metrics extracted from 1b2k.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": "7966dbbb193cdd74b7c57822e51f7c67",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 27.73,
    "b": 62.79,
    "c": 59.84,
    "alpha": 90.0,
    "beta": 90.1,
    "gamma": 90.0
  },
  "wavelengths": [0.90100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [13.300,1.600],
    "number_observations_unique": 26152,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 5.2000
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 3.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.54
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 95.6
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    }
  ]

}
  

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


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