Data quality metrics extracted from 9bqp.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": "f8d8b09bacc21a7a09d6653f8b58d89d",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 55.476,
    "b": 83.277,
    "c": 88.267,
    "alpha": 90.000,
    "beta": 97.334,
    "gamma": 90.000
  },
  "wavelengths": [1.54301],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.24,2.0],
    "number_observations_unique": 26225,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08221
      },
      {
        "type": "R(meas)",
        "value": 0.08915
      },
      {
        "type": "R(pim)",
        "value": 0.03279
      },
      {
        "type": "I/SigI",
        "value": 12.42
      },
      {
        "type": "Completeness",
        "value": 97.17
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.071,2.0],
      "number_observations_unique": 2660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4973
        },
        {
          "type": "R(meas)",
          "value": 0.559
        },
        {
          "type": "R(pim)",
          "value": 0.2473
        },
        {
          "type": "I/SigI",
          "value": 2.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    }
  ]

}
  

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


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