Data quality metrics extracted from 9iev.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": "15ba60f92b72125b42c6a33cb73d8ba8",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 105.12,
    "b": 105.12,
    "c": 160.13,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.05,1.44],
    "number_observations_unique": 184579,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 14.11
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.44],
      "number_observations_unique": 29574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.076
        },
        {
          "type": "R(meas)",
          "value": 2.191
        },
        {
          "type": "I/SigI",
          "value": 0.67
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.692
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.53],
      "number_observations_unique": 27797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.191
        },
        {
          "type": "R(meas)",
          "value": 1.248
        },
        {
          "type": "I/SigI",
          "value": 56.22
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.63],
      "number_observations_unique": 25962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.672
        },
        {
          "type": "R(meas)",
          "value": 0.704
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.76],
      "number_observations_unique": 23936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.93],
      "number_observations_unique": 21692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.16],
      "number_observations_unique": 19225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.49],
      "number_observations_unique": 16318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.3,3.05],
      "number_observations_unique": 12750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.05,4.30],
      "number_observations_unique": 7325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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