Data quality metrics extracted from 9fy8.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": "5fa15ae47f9b724e6fbadb22e6e8582c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.331,
    "b": 128.144,
    "c": 98.896,
    "alpha": 90.00,
    "beta": 98.17,
    "gamma": 90.00
  },
  "wavelengths": [0.97951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.892,2.62],
    "number_observations_unique": 34129,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "R(meas)",
        "value": 0.302
      },
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 5.13
      },
      {
        "type": "CC(1/2)",
        "value": 0.961
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,2.67],
      "number_observations_unique": 4136,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    },
    {
      "resolution_limits": [3.77,3.08],
      "number_observations_unique": 9255,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.301
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [5.32,3.77],
      "number_observations_unique": 7204,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.127
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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