Data quality metrics extracted from 4drx.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": "4d1b0a5ad3349ee34a03ebc0bb5e06bc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 104.884,
    "b": 90.596,
    "c": 117.575,
    "alpha": 90.00,
    "beta": 90.02,
    "gamma": 90.00
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.190,2.220],
    "number_observations_unique": 104776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.01500
      },
      {
        "type": "I/SigI",
        "value": 12.3800
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "Redundancy",
        "value": 2.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.22],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 95.0
        }
      ]
    }
  ]

}
  

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


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