Data quality metrics extracted from 6nva.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": "87d9a827375ca8ebda35150ed30e7655",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 86.140,
    "b": 86.333,
    "c": 107.002,
    "alpha": 109.72,
    "beta": 104.24,
    "gamma": 99.18
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.16],
    "number_observations_unique": 142605,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 7.781
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.524
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.16],
      "number_observations_unique": 6709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.756
        },
        {
          "type": "Completeness",
          "value": 92.0
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.524
        }
      ]
    }
  ]

}
  

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


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