Data quality metrics extracted from 7onc.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": "a734f4dc424e22811c2360a71939fadd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.981,
    "b": 46.779,
    "c": 46.809,
    "alpha": 119.97,
    "beta": 90.01,
    "gamma": 90.02
  },
  "wavelengths": [0.92003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.550,1.490],
    "number_observations": 141306,
    "number_observations_unique": 40395,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.019
      },
      {
        "type": "R(meas)",
        "value": 0.023
      },
      {
        "type": "R(pim)",
        "value": 0.013
      },
      {
        "type": "I/SigI",
        "value": 35.400
      },
      {
        "type": "Completeness",
        "value": 96.100
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.520,1.490],
      "number_observations": 7234,
      "number_observations_unique": 1996,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "R(pim)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 30.400
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [40.550,8.160],
      "number_observations": 685,
      "number_observations_unique": 224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 35.500
        },
        {
          "type": "Completeness",
          "value": 87.200
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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