Data quality metrics extracted from 7iey.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": "a21e21304528598250aac98b64bee83d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.30,
    "b": 73.01,
    "c": 52.56,
    "alpha": 90.0,
    "beta": 109.4,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.50,1.04],
    "number_observations": 495119,
    "number_observations_unique": 141668,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "I/SigI",
        "value": 5.85
      },
      {
        "type": "Completeness",
        "value": 91.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.1,1.04],
      "number_observations": 73849,
      "number_observations_unique": 21214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.993
        },
        {
          "type": "R(meas)",
          "value": 1.168
        },
        {
          "type": "I/SigI",
          "value": 0.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.10],
      "number_observations": 70457,
      "number_observations_unique": 20511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.572
        },
        {
          "type": "R(meas)",
          "value": 0.675
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.76
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.18],
      "number_observations": 70536,
      "number_observations_unique": 20048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.423
        },
        {
          "type": "R(meas)",
          "value": 0.499
        },
        {
          "type": "I/SigI",
          "value": 2.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.841
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.27],
      "number_observations": 65496,
      "number_observations_unique": 18725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "R(meas)",
          "value": 0.355
        },
        {
          "type": "I/SigI",
          "value": 3.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.39],
      "number_observations": 61079,
      "number_observations_unique": 17227,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 5.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.56],
      "number_observations": 53772,
      "number_observations_unique": 15204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 8.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [2.2,1.80],
      "number_observations": 45107,
      "number_observations_unique": 13018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 13.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.20],
      "number_observations": 35568,
      "number_observations_unique": 10079,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 16.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    }
  ]

}
  

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


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