Data quality metrics extracted from 1w1a.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": "46792d0421580ec54ece28afa6bc18c7",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 87.862,
    "b": 87.862,
    "c": 120.292,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.250],
    "number_observations_unique": 24612,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11000
      },
      {
        "type": "I/SigI",
        "value": 10.5000
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.56000
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 2.40
        }
      ]
    }
  ]

}
  

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


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