Data quality metrics extracted from 9bfw.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": "836454dbbd49253072ff2c07e973a54b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.21,
    "b": 58.08,
    "c": 75.95,
    "alpha": 90.00,
    "beta": 97.95,
    "gamma": 90.00
  },
  "wavelengths": [0.95300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.07,1.20],
    "number_observations_unique": 99659,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04415
      },
      {
        "type": "R(meas)",
        "value": 0.05144
      },
      {
        "type": "R(pim)",
        "value": 0.02607
      },
      {
        "type": "I/SigI",
        "value": 15.35
      },
      {
        "type": "Completeness",
        "value": 99.61
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.243,1.20],
      "number_observations_unique": 9775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1992
        },
        {
          "type": "R(meas)",
          "value": 0.2368
        },
        {
          "type": "R(pim)",
          "value": 0.1258
        },
        {
          "type": "I/SigI",
          "value": 4.98
        },
        {
          "type": "Completeness",
          "value": 98.16
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    }
  ]

}
  

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


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