Data quality metrics extracted from 6yne.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": "5f7fa8c9d234dd27886288603494faf1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 81.787,
    "b": 124.652,
    "c": 79.740,
    "alpha": 90.00,
    "beta": 117.04,
    "gamma": 90.00
  },
  "wavelengths": [0.97622],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.85,1.85],
    "number_observations_unique": 81465,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.226
      },
      {
        "type": "R(meas)",
        "value": 0.245
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 67.6
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.85],
      "number_observations_unique": 4074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.488
        },
        {
          "type": "R(meas)",
          "value": 1.618
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 12.8
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.456
        }
      ]
    }
  ]

}
  

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


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