Data quality metrics extracted from 6fbq.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": "c3c07affe0471ba5e4c8314f1e03d15a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 103.333,
    "b": 44.257,
    "c": 62.137,
    "alpha": 90.00,
    "beta": 98.31,
    "gamma": 90.00
  },
  "wavelengths": [1.28210],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.440,1.540],
    "number_observations": 83577,
    "number_observations_unique": 35888,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "R(meas)",
        "value": 0.123
      },
      {
        "type": "R(pim)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 5.500
      },
      {
        "type": "Completeness",
        "value": 87.800
      },
      {
        "type": "Redundancy",
        "value": 2.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.570,1.540],
      "number_observations_unique": 1306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.075
        },
        {
          "type": "R(meas)",
          "value": 1.391
        },
        {
          "type": "R(pim)",
          "value": 0.875
        },
        {
          "type": "Completeness",
          "value": 65.300
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.144
        }
      ]
    },
    {
      "resolution_limits": [42.440,8.450],
      "number_observations_unique": 248,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "R(pim)",
          "value": 0.045
        },
        {
          "type": "Completeness",
          "value": 90.100
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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