Data quality metrics extracted from 6w2p.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": "9b3d03fc0911578acc38d3b93ace6ba2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.387,
    "b": 61.780,
    "c": 72.278,
    "alpha": 83.706,
    "beta": 78.557,
    "gamma": 88.020
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,1.94],
    "number_observations_unique": 99515,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 19.54
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 4.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.98,1.95],
      "number_observations_unique": 4296,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.815
        },
        {
          "type": "I/SigI",
          "value": 2.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.770
        }
      ]
    }
  ]

}
  

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


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