Data quality metrics extracted from 2w53.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": "97207ef14b202a138521bedd3e037959",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.703,
    "b": 58.582,
    "c": 83.260,
    "alpha": 90.00,
    "beta": 103.14,
    "gamma": 90.00
  },
  "wavelengths": [1.07100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.22,2.00],
    "number_observations_unique": 35083,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 9.13
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 7.31
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "I/SigI",
          "value": 3.86
        },
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 7.37
        }
      ]
    }
  ]

}
  

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


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