Data quality metrics extracted from 6nyu.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": "f49fd30a3b4e469b0a32b9bb1415e7c5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 32.846,
    "b": 54.090,
    "c": 83.729,
    "alpha": 105.05,
    "beta": 90.00,
    "gamma": 107.67
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.56,2.18],
    "number_observations_unique": 26506,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.134
      },
      {
        "type": "R(meas)",
        "value": 0.156
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.18],
      "number_observations_unique": 1800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        },
        {
          "type": "R(meas)",
          "value": 0.548
        },
        {
          "type": "R(pim)",
          "value": 0.379
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 76.5
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.552
        }
      ]
    }
  ]

}
  

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


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