Data quality metrics extracted from 9jvr.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": "c3fdc9aa9b3b796287dc9231ca26728b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.698,
    "b": 65.798,
    "c": 88.491,
    "alpha": 70.305,
    "beta": 89.843,
    "gamma": 74.356
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.08,2.07],
    "number_observations_unique": 31485,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 11.900
      },
      {
        "type": "Completeness",
        "value": 71.8
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.07],
      "number_observations_unique": 2277,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.648
        },
        {
          "type": "R(meas)",
          "value": 0.916
        },
        {
          "type": "R(pim)",
          "value": 0.648
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.495
        }
      ]
    }
  ]

}
  

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


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