Data quality metrics extracted from 6w35.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": "c91c50ac59a7313a85097f8c806ae8cc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 75.723,
    "b": 77.377,
    "c": 94.433,
    "alpha": 90.00,
    "beta": 112.11,
    "gamma": 90.00
  },
  "wavelengths": [0.99983],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.490,1.980],
    "number_observations": 165354,
    "number_observations_unique": 67503,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "R(meas)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 12.860
      },
      {
        "type": "Completeness",
        "value": 95.600
      },
      {
        "type": "Redundancy",
        "value": 2.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,1.980],
      "number_observations": 48457,
      "number_observations_unique": 20400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.451
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 2.43
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 2.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.787
        }
      ]
    }
  ]

}
  

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


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