Data quality metrics extracted from 4o00.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": "da19fa7bbf4247720f93b2a3d5e6ced7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.349,
    "b": 63.447,
    "c": 65.702,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.150,1.850],
    "number_observations_unique": 15827,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "I/SigI",
        "value": 12.100
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "Redundancy",
        "value": 6.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.969,1.853],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.0
        }
      ]
    },
    {
      "resolution_limits": [20.703,3.362],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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