Data quality metrics extracted from 7jxr.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": "11357dd864f98066cba7511dbe576c02",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 63.136,
    "b": 97.923,
    "c": 84.817,
    "alpha": 90.00,
    "beta": 99.94,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.21,2.04],
    "number_observations_unique": 61646,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 28.86
      },
      {
        "type": "Completeness",
        "value": 95.03
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.113,2.04],
      "number_observations_unique": 6078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "R(meas)",
          "value": 0.508
        },
        {
          "type": "R(pim)",
          "value": 0.298
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        }
      ]
    }
  ]

}
  

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


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