Data quality metrics extracted from 7ndy.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": "948ded75734e6a66e5312cf33334db36",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.050,
    "b": 40.628,
    "c": 43.224,
    "alpha": 69.51,
    "beta": 69.68,
    "gamma": 85.03
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.225,1.242],
    "number_observations_unique": 32449,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 84.8
      },
      {
        "type": "Redundancy",
        "value": 15
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.411,1.242],
      "number_observations_unique": 1622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.802
        },
        {
          "type": "R(meas)",
          "value": 0.965
        },
        {
          "type": "R(pim)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    }
  ]

}
  

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


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