Data quality metrics extracted from 7ii9.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": "9c0fc07592d3baaf8d06b19318256ffe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.27,
    "b": 73.16,
    "c": 52.57,
    "alpha": 90.00,
    "beta": 109.39,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.08,1.1],
    "number_observations": 566756,
    "number_observations_unique": 130811,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 6.56
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.16,1.10],
      "number_observations": 76081,
      "number_observations_unique": 19865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.437
        },
        {
          "type": "R(meas)",
          "value": 1.66
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.432
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.16],
      "number_observations": 87648,
      "number_observations_unique": 20020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.057
        },
        {
          "type": "R(meas)",
          "value": 1.205
        },
        {
          "type": "I/SigI",
          "value": 1.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.597
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.24],
      "number_observations": 83861,
      "number_observations_unique": 18708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.801
        },
        {
          "type": "R(meas)",
          "value": 0.91
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.7
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.34],
      "number_observations": 73319,
      "number_observations_unique": 17229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.511
        },
        {
          "type": "R(meas)",
          "value": 0.587
        },
        {
          "type": "I/SigI",
          "value": 2.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.811
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.47],
      "number_observations": 69269,
      "number_observations_unique": 15577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "R(meas)",
          "value": 0.349
        },
        {
          "type": "I/SigI",
          "value": 5.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [1.9,1.64],
      "number_observations": 64341,
      "number_observations_unique": 13753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 9.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [2.32,1.90],
      "number_observations": 50662,
      "number_observations_unique": 11625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 15.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.32],
      "number_observations": 38233,
      "number_observations_unique": 9011,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 21.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    }
  ]

}
  

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


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