Data quality metrics extracted from 3nvd.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": "e61d91adee2de22f93253c99ae5cc981",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.473,
    "b": 73.206,
    "c": 83.788,
    "alpha": 79.83,
    "beta": 69.45,
    "gamma": 88.22
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.549,1.836],
    "number_observations_unique": 104555,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08100
      },
      {
        "type": "I/SigI",
        "value": 7.5500
      },
      {
        "type": "Completeness",
        "value": 93.5
      },
      {
        "type": "Redundancy",
        "value": 1.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.84],
      "number_observations_unique": 16575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.41700
        },
        {
          "type": "I/SigI",
          "value": 1.977
        },
        {
          "type": "Completeness",
          "value": 91.5
        },
        {
          "type": "Redundancy",
          "value": 1.70
        }
      ]
    }
  ]

}
  

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


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