Data quality metrics extracted from 1jyl.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": "bc249b82c6c10898014c8b858347722e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.2,
    "b": 69.0,
    "c": 81.6,
    "alpha": 93.4,
    "beta": 92.8,
    "gamma": 97.1
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.4],
    "number_observations_unique": 37757,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0940000
      },
      {
        "type": "I/SigI",
        "value": 12.2
      },
      {
        "type": "Completeness",
        "value": 94.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "number_observations_unique": 1522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3300000
        },
        {
          "type": "I/SigI",
          "value": 2.02
        },
        {
          "type": "Completeness",
          "value": 77.2
        },
        {
          "type": "Redundancy",
          "value": 1.82
        }
      ]
    }
  ]

}
  

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


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