Data quality metrics extracted from 1ds1.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": "9ff82dc32c48c268c4ee5f134c80ac9f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.08,
    "b": 67.94,
    "c": 68.87,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.08],
    "number_observations_unique": 126607,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1080000
      },
      {
        "type": "I/SigI",
        "value": 16.6
      },
      {
        "type": "Completeness",
        "value": 92.8
      },
      {
        "type": "Redundancy",
        "value": 6.34
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.10,1.08],
      "number_observations_unique": 3857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6990000
        },
        {
          "type": "Completeness",
          "value": 57.2
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    }
  ]

}
  

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


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