Data quality metrics extracted from 9ie9.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": "e252d9f9c2eef3e40d70fed867788af8",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 104.855,
    "b": 104.855,
    "c": 160.418,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.08,1.39],
    "number_observations_unique": 204383,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 13.54
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 10.74
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.5,1.39],
      "number_observations_unique": 31348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.506
        },
        {
          "type": "R(meas)",
          "value": 3.172
        },
        {
          "type": "I/SigI",
          "value": 53.13
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.398
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.50],
      "number_observations_unique": 29533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.31
        },
        {
          "type": "R(meas)",
          "value": 1.372
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.60],
      "number_observations_unique": 27563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.691
        },
        {
          "type": "R(meas)",
          "value": 0.724
        },
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.73],
      "number_observations_unique": 25372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [2.11,1.89],
      "number_observations_unique": 23045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "R(meas)",
          "value": 0.185
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.11],
      "number_observations_unique": 20383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.44],
      "number_observations_unique": 17333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.21,2.99],
      "number_observations_unique": 13524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.08,4.21],
      "number_observations_unique": 7740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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