Data quality metrics extracted from 7jxs.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": "65646eb9bb60e57ee9e021e0aa98df45",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.548,
    "b": 90.724,
    "c": 73.169,
    "alpha": 90.00,
    "beta": 102.39,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.36,2.35],
    "number_observations_unique": 32585,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "R(pim)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 25.95
      },
      {
        "type": "Completeness",
        "value": 94.51
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.434,2.35],
      "number_observations_unique": 3286,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.515
        },
        {
          "type": "R(pim)",
          "value": 0.277
        },
        {
          "type": "Completeness",
          "value": 95.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    }
  ]

}
  

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


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