Data quality metrics extracted from 9ie3.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": "6130994722650206adf7b038ced4d12f",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 105.122,
    "b": 105.122,
    "c": 160.593,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.15,1.3],
    "number_observations_unique": 245347,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 12.43
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 9.84
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.30],
      "number_observations_unique": 34709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.337
        },
        {
          "type": "R(meas)",
          "value": 3.24
        },
        {
          "type": "I/SigI",
          "value": 0.30
        },
        {
          "type": "Completeness",
          "value": 86.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.254
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.42],
      "number_observations_unique": 34481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.541
        },
        {
          "type": "R(meas)",
          "value": 1.63
        },
        {
          "type": "I/SigI",
          "value": 53.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.52],
      "number_observations_unique": 32277,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.849
        },
        {
          "type": "R(meas)",
          "value": 0.889
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.64],
      "number_observations_unique": 29655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "R(meas)",
          "value": 0.451
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.80],
      "number_observations_unique": 26935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.211
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.01],
      "number_observations_unique": 23863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.32],
      "number_observations_unique": 20313,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.01,2.84],
      "number_observations_unique": 15793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.15,4.01],
      "number_observations_unique": 9039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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