Data quality metrics extracted from 1d2i.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": "d9737633fe86b745fee3afd387f77b26",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 48.8,
    "b": 101.7,
    "c": 116.9,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.94940,0.97910,0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.0,1.7],
    "number_observations_unique": 123664,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0600000
      },
      {
        "type": "I/SigI",
        "value": 13
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1620000
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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