Data quality metrics extracted from 6s0v.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": "b4bcf0bed332e6d2fa1733379834d38e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.467,
    "b": 185.250,
    "c": 110.460,
    "alpha": 90.00,
    "beta": 94.68,
    "gamma": 90.00
  },
  "wavelengths": [0.97938],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.54,3.00],
    "number_observations_unique": 40424,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 90.74
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,3.00],
      "number_observations_unique": 2006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.947
        },
        {
          "type": "CC(1/2)",
          "value": 0.661
        }
      ]
    }
  ]

}
  

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


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