Data quality metrics extracted from 6bmq.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": "e2dba502117fed901e3c0d3f20991db3",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 96.710,
    "b": 96.710,
    "c": 115.731,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.66,2.077],
    "number_observations_unique": 38271,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03826
      },
      {
        "type": "R(meas)",
        "value": 0.054
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 13.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.151,2.077],
      "number_observations": 7400,
      "number_observations_unique": 3805,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3356
        },
        {
          "type": "CC(1/2)",
          "value": 0.727
        }
      ]
    }
  ]

}
  

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


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