Data quality metrics extracted from 7rlm.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": "65a4db0362510c31182f7b138ea8ed59",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.863,
    "b": 67.479,
    "c": 75.887,
    "alpha": 79.670,
    "beta": 76.219,
    "gamma": 81.673
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.86,1.504],
    "number_observations_unique": 177750,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 8.6
      },
      {
        "type": "Completeness",
        "value": 89.13
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.558,1.504],
      "number_observations_unique": 6323,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.315
        }
      ]
    }
  ]

}
  

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


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