Data quality metrics extracted from 7iig.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": "070d53e255ea467455f7c2d4b7fda949",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.41,
    "b": 73.10,
    "c": 52.69,
    "alpha": 90.0,
    "beta": 109.5,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.88,1.01],
    "number_observations": 721617,
    "number_observations_unique": 168762,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 9.32
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.07,1.01],
      "number_observations": 107532,
      "number_observations_unique": 26870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.485
        },
        {
          "type": "R(meas)",
          "value": 1.705
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.343
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.07],
      "number_observations": 100497,
      "number_observations_unique": 25675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "R(meas)",
          "value": 0.828
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.694
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.14],
      "number_observations": 102128,
      "number_observations_unique": 23924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "R(meas)",
          "value": 0.488
        },
        {
          "type": "I/SigI",
          "value": 2.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.868
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.24],
      "number_observations": 98888,
      "number_observations_unique": 21997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3
        },
        {
          "type": "R(meas)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 4.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.35],
      "number_observations": 85667,
      "number_observations_unique": 19965,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "R(meas)",
          "value": 0.196
        },
        {
          "type": "I/SigI",
          "value": 7.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.51],
      "number_observations": 79942,
      "number_observations_unique": 17577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 13.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.75],
      "number_observations": 67853,
      "number_observations_unique": 14823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 23.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.14],
      "number_observations": 48806,
      "number_observations_unique": 11517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 31.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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