Data quality metrics extracted from 9iel.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": "e97d9cf548bddec00e2908642d3d1f98",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 104.450,
    "b": 104.450,
    "c": 160.765,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.67,1.7],
    "number_observations_unique": 111842,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.143
      },
      {
        "type": "R(meas)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 9.16
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.42
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8,1.70],
      "number_observations_unique": 17928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.823
        },
        {
          "type": "R(meas)",
          "value": 2.955
        },
        {
          "type": "I/SigI",
          "value": 0.73
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.293
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.80],
      "number_observations_unique": 16807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.574
        },
        {
          "type": "R(meas)",
          "value": 1.647
        },
        {
          "type": "I/SigI",
          "value": 23.74
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.93],
      "number_observations_unique": 15706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.809
        },
        {
          "type": "R(meas)",
          "value": 0.847
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.08],
      "number_observations_unique": 14473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.452
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.28],
      "number_observations_unique": 13147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "R(meas)",
          "value": 0.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.55],
      "number_observations_unique": 11628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.6,2.94],
      "number_observations_unique": 9912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.08,3.60],
      "number_observations_unique": 7753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [49.67,5.08],
      "number_observations_unique": 4488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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