Data quality metrics extracted from 1d1b.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": "d6275ec4f6a6d0b8ec32c83efc6c154b",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 103.88,
    "b": 180.46,
    "c": 54.07,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,2.0],
    "number_observations_unique": 67496,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0400000
      },
      {
        "type": "I/SigI",
        "value": 20.7
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 2.86
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.1,2.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1440000
        },
        {
          "type": "Completeness",
          "value": 94.0
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    }
  ]

}
  

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


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