Data quality metrics extracted from 7ieq.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": "8bf0247189444942be1012c33359126b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.28,
    "b": 73.08,
    "c": 52.61,
    "alpha": 90.00,
    "beta": 109.57,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.03,1.08],
    "number_observations": 444431,
    "number_observations_unique": 134361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 9.02
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.14,1.08],
      "number_observations": 63408,
      "number_observations_unique": 20897,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.106
        },
        {
          "type": "R(meas)",
          "value": 1.344
        },
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.41
        }
      ]
    },
    {
      "resolution_limits": [1.22,1.14],
      "number_observations": 66746,
      "number_observations_unique": 20283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.67
        },
        {
          "type": "R(meas)",
          "value": 0.80
        },
        {
          "type": "I/SigI",
          "value": 1.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.639
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.22],
      "number_observations": 60700,
      "number_observations_unique": 18994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.496
        },
        {
          "type": "R(meas)",
          "value": 0.598
        },
        {
          "type": "I/SigI",
          "value": 2.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.708
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.32],
      "number_observations": 60935,
      "number_observations_unique": 17644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "R(meas)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 3.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.45],
      "number_observations": 52423,
      "number_observations_unique": 15982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "R(meas)",
          "value": 0.194
        },
        {
          "type": "I/SigI",
          "value": 6.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.62],
      "number_observations": 50282,
      "number_observations_unique": 14197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 12.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.29,1.87],
      "number_observations": 39193,
      "number_observations_unique": 11900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 22.38
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.29],
      "number_observations": 33194,
      "number_observations_unique": 9287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 31.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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