Data quality metrics extracted from 9jlx.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": "7e02ebb342a4c6126e146f5afb2b1046",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.83,
    "b": 61.46,
    "c": 195.70,
    "alpha": 84.00,
    "beta": 89.08,
    "gamma": 89.20
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.12,1.83],
    "number_observations_unique": 159268,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(meas)",
        "value": 0.090
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 12.0
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.83],
      "number_observations_unique": 11665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.852
        },
        {
          "type": "R(meas)",
          "value": 1.014
        },
        {
          "type": "R(pim)",
          "value": 0.543
        },
        {
          "type": "CC(1/2)",
          "value": 0.532
        }
      ]
    }
  ]

}
  

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


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