Data quality metrics extracted from 9bfv.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": "c142644ee5057f94c442dde55ea9b0dd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.04,
    "b": 105.18,
    "c": 66.22,
    "alpha": 90.00,
    "beta": 90.86,
    "gamma": 90.00
  },
  "wavelengths": [0.95300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.03,1.20],
    "number_observations_unique": 197918,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05589
      },
      {
        "type": "R(meas)",
        "value": 0.06487
      },
      {
        "type": "R(pim)",
        "value": 0.03253
      },
      {
        "type": "I/SigI",
        "value": 9.75
      },
      {
        "type": "Completeness",
        "value": 96.79
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.243,1.20],
      "number_observations_unique": 18877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.374
        },
        {
          "type": "R(meas)",
          "value": 1.601
        },
        {
          "type": "R(pim)",
          "value": 0.812
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 92.57
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.268
        }
      ]
    }
  ]

}
  

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


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