Data quality metrics extracted from 7iet.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "5db4591e8a8bf3c394fa7dfbe69cd90d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.21,
    "b": 72.96,
    "c": 52.46,
    "alpha": 90.00,
    "beta": 109.36,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.04,1.18],
    "number_observations": 346929,
    "number_observations_unique": 103848,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 10.62
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations": 53153,
      "number_observations_unique": 16429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.962
        },
        {
          "type": "R(meas)",
          "value": 1.152
        },
        {
          "type": "I/SigI",
          "value": 1.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.477
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.25],
      "number_observations": 50288,
      "number_observations_unique": 15725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.677
        },
        {
          "type": "R(meas)",
          "value": 0.813
        },
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.64
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.34],
      "number_observations": 50562,
      "number_observations_unique": 14728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.416
        },
        {
          "type": "R(meas)",
          "value": 0.493
        },
        {
          "type": "I/SigI",
          "value": 2.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.833
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.44],
      "number_observations": 45239,
      "number_observations_unique": 13603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "R(meas)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 4.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.58],
      "number_observations": 42464,
      "number_observations_unique": 12303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 8.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.77],
      "number_observations": 37681,
      "number_observations_unique": 10875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 16.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.04],
      "number_observations": 29588,
      "number_observations_unique": 9086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 25.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.52,2.50],
      "number_observations": 24673,
      "number_observations_unique": 7141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 36.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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