Data quality metrics extracted from 9rly.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "8c06531932d7c12f08078c04be914853",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.590,
    "b": 91.471,
    "c": 52.887,
    "alpha": 90.000,
    "beta": 111.828,
    "gamma": 90.000
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.2,1.36],
    "number_observations_unique": 82971,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 92.3
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.36],
      "number_observations_unique": 3483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.999
        },
        {
          "type": "I/SigI",
          "value": 1.5
        }
      ]
    }
  ]

}
  

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


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