Data quality metrics extracted from 7iep.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": "f7731dcde923f87da217d54896470853",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.27,
    "b": 73.67,
    "c": 52.54,
    "alpha": 90.00,
    "beta": 109.32,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.57,1.28],
    "number_observations": 279457,
    "number_observations_unique": 81304,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 8.51
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.35,1.28],
      "number_observations": 41532,
      "number_observations_unique": 12499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.518
        },
        {
          "type": "R(meas)",
          "value": 1.807
        },
        {
          "type": "I/SigI",
          "value": 0.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.33
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.35],
      "number_observations": 43243,
      "number_observations_unique": 12275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.948
        },
        {
          "type": "R(meas)",
          "value": 1.119
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.54
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.45],
      "number_observations": 39627,
      "number_observations_unique": 11614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.551
        },
        {
          "type": "R(meas)",
          "value": 0.655
        },
        {
          "type": "I/SigI",
          "value": 2.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.56],
      "number_observations": 36167,
      "number_observations_unique": 10563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "R(meas)",
          "value": 0.379
        },
        {
          "type": "I/SigI",
          "value": 3.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.9
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.71],
      "number_observations": 34716,
      "number_observations_unique": 9754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "R(meas)",
          "value": 0.19899999999999998
        },
        {
          "type": "I/SigI",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.21,1.91],
      "number_observations": 28387,
      "number_observations_unique": 8518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 12.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.21],
      "number_observations": 25347,
      "number_observations_unique": 7251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 18.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.82,2.71],
      "number_observations": 19630,
      "number_observations_unique": 5679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "I/SigI",
          "value": 30.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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