Data quality metrics extracted from 1dm3.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": "e4c88c5c038c9717e935e2918937f061",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 84.384,
    "b": 78.846,
    "c": 149.729,
    "alpha": 90.00,
    "beta": 93.51,
    "gamma": 90.00
  },
  "wavelengths": [1.05749],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.00],
    "number_observations_unique": 126823,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0680000
      },
      {
        "type": "I/SigI",
        "value": 10.3
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.03],
      "number_observations_unique": 16710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2200000
        },
        {
          "type": "Completeness",
          "value": 94.5
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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