Data quality metrics extracted from 5ndz.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": "758f807020552e110266f3201cad818d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.099,
    "b": 62.599,
    "c": 86.467,
    "alpha": 104.38,
    "beta": 91.66,
    "gamma": 96.40
  },
  "wavelengths": [0.96862],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.441,3.59],
    "number_observations_unique": 8205,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.399
      },
      {
        "type": "R(pim)",
        "value": 0.233
      },
      {
        "type": "I/SigI",
        "value": 4.4
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.888
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.94,3.59],
      "number_observations_unique": 1993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.186
        },
        {
          "type": "R(pim)",
          "value": 0.702
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.457
        }
      ]
    }
  ]

}
  

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


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