Data quality metrics extracted from 9ie1.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": "d39f23832dc95544df13c0a8216c2610",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 105.01,
    "b": 105.01,
    "c": 160.35,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.08,1.35],
    "number_observations_unique": 223432,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "R(meas)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 9.96
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 10.25
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.35],
      "number_observations_unique": 35838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.085
        },
        {
          "type": "R(meas)",
          "value": 2.285
        },
        {
          "type": "I/SigI",
          "value": 0.54
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 5.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.367
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.43],
      "number_observations_unique": 33654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.517
        },
        {
          "type": "R(meas)",
          "value": 1.601
        },
        {
          "type": "I/SigI",
          "value": 33.18
        },
        {
          "type": "CC(1/2)",
          "value": 0.773
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.53],
      "number_observations_unique": 31482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.893
        },
        {
          "type": "R(meas)",
          "value": 0.936
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.65],
      "number_observations_unique": 28984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "R(meas)",
          "value": 0.475
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.81],
      "number_observations_unique": 26251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "R(meas)",
          "value": 0.235
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.02],
      "number_observations_unique": 23262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.86,2.34],
      "number_observations_unique": 19736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.04,2.86],
      "number_observations_unique": 15407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [46.08,4.04],
      "number_observations_unique": 8818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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