Data quality metrics extracted from 8tnv.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": "2c86d55d9fcdce66e318b546029db80e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 75.682,
    "b": 103.368,
    "c": 119.048,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.41,1.5],
    "number_observations_unique": 149523,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1226
      },
      {
        "type": "R(meas)",
        "value": 0.1276
      },
      {
        "type": "R(pim)",
        "value": 0.03507
      },
      {
        "type": "I/SigI",
        "value": 14.47
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.554,1.5],
      "number_observations_unique": 14807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.411
        },
        {
          "type": "R(meas)",
          "value": 1.466
        },
        {
          "type": "R(pim)",
          "value": 0.3925
        },
        {
          "type": "I/SigI",
          "value": 2.24
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 13.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.762
        }
      ]
    }
  ]

}
  

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


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