Data quality metrics extracted from 1on0.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": "5639436b9d483fa8d59dd87105d557ba",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.891,
    "b": 101.594,
    "c": 62.120,
    "alpha": 90.0,
    "beta": 97.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.68,2.2],
    "number_observations_unique": 69770,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 16.64
      },
      {
        "type": "Completeness",
        "value": 91.5
      },
      {
        "type": "Redundancy",
        "value": 3.26
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.2],
      "number_observations_unique": 2778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 3.74
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 2.7
        }
      ]
    }
  ]

}
  

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


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