Data quality metrics extracted from 2o3o.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": "952a86f6b3ffd9ecc463410b2cb968a9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.792,
    "b": 161.922,
    "c": 180.156,
    "alpha": 90.0,
    "beta": 90.9,
    "gamma": 90.0
  },
  "wavelengths": [0.94645,0.97969,0.97955],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.000,2.890],
    "number_observations_unique": 71733,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 12.4000
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.89],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 53.9
        },
        {
          "type": "Redundancy",
          "value": 2.10
        }
      ]
    }
  ]

}
  

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


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