Data quality metrics extracted from 2b1d.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": "e868336a6381bec4d93d819f5c4cee5d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.980,
    "b": 40.346,
    "c": 40.255,
    "alpha": 82.15,
    "beta": 69.13,
    "gamma": 81.44
  },
  "wavelengths": [1.10040],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.00,2.50],
    "number_observations_unique": 7790,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "Completeness",
        "value": 97.700
      },
      {
        "type": "Redundancy",
        "value": 4.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.50],
      "number_observations": 614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    }
  ]

}
  

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


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