Data quality metrics extracted from 7rj1.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": "20d6392d3089fe9262adb8747dfc6496",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.751,
    "b": 93.154,
    "c": 99.709,
    "alpha": 90.000,
    "beta": 106.959,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.15],
    "number_observations_unique": 56277,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 18.1
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.15],
      "number_observations_unique": 2850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.701
        },
        {
          "type": "R(pim)",
          "value": 0.451
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
        }
      ]
    }
  ]

}
  

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


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