Data quality metrics extracted from 9sbb.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "3e18b7c8dcf671fdf5f99c232802a628",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.797,
    "b": 87.975,
    "c": 95.763,
    "alpha": 90.00,
    "beta": 108.25,
    "gamma": 90.00
  },
  "wavelengths": [0.87310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.42,2.12],
    "number_observations_unique": 49442,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "R(meas)",
        "value": 0.1544
      },
      {
        "type": "R(pim)",
        "value": 0.08232
      },
      {
        "type": "I/SigI",
        "value": 6.09
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.12],
      "number_observations_unique": 2730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.625
        },
        {
          "type": "R(meas)",
          "value": 0.929
        },
        {
          "type": "I/SigI",
          "value": 0.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.372
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.37],
      "number_observations_unique": 6188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.679
        },
        {
          "type": "R(meas)",
          "value": 0.762
        },
        {
          "type": "CC(1/2)",
          "value": 0.531
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.45],
      "number_observations_unique": 6004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.557
        },
        {
          "type": "R(meas)",
          "value": 0.595
        },
        {
          "type": "CC(1/2)",
          "value": 0.633
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.53],
      "number_observations_unique": 5798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.434
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    }
  ]

}
  

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


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