Data quality metrics extracted from 7fs8.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": "29dabf98072c5847304352a2848b03fc",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 206.748,
    "b": 112.962,
    "c": 187.947,
    "alpha": 90.00,
    "beta": 92.36,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [103.287,2.098],
    "number_observations": 1891926,
    "number_observations_unique": 171866,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 11.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.276,2.098],
      "number_observations": 95102,
      "number_observations_unique": 8595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.620
        },
        {
          "type": "R(pim)",
          "value": 0.510
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 11.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    },
    {
      "resolution_limits": [103.287,6.529],
      "number_observations": 95718,
      "number_observations_unique": 8591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 37.1
        },
        {
          "type": "Redundancy",
          "value": 11.1
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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