Data quality metrics extracted from 7iid.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": "2f3b9c60f1b8fbffcb0797f9df4bcf75",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.23,
    "b": 73.18,
    "c": 52.58,
    "alpha": 90.00,
    "beta": 109.39,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.66,1.42],
    "number_observations": 271303,
    "number_observations_unique": 60996,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.144
      },
      {
        "type": "R(meas)",
        "value": 0.163
      },
      {
        "type": "I/SigI",
        "value": 7.67
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.5,1.42],
      "number_observations": 39539,
      "number_observations_unique": 9527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.205
        },
        {
          "type": "R(meas)",
          "value": 1.378
        },
        {
          "type": "I/SigI",
          "value": 1.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.42
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.50],
      "number_observations": 40056,
      "number_observations_unique": 9293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.848
        },
        {
          "type": "R(meas)",
          "value": 0.964
        },
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.648
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.60],
      "number_observations": 40665,
      "number_observations_unique": 8666,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.612
        },
        {
          "type": "R(meas)",
          "value": 0.685
        },
        {
          "type": "I/SigI",
          "value": 2.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    },
    {
      "resolution_limits": [1.9,1.73],
      "number_observations": 37223,
      "number_observations_unique": 7972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.396
        },
        {
          "type": "R(meas)",
          "value": 0.443
        },
        {
          "type": "I/SigI",
          "value": 4.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [2.12,1.90],
      "number_observations": 32672,
      "number_observations_unique": 7201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "R(meas)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 7.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.12],
      "number_observations": 26620,
      "number_observations_unique": 6378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 11.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.45],
      "number_observations": 23805,
      "number_observations_unique": 5411,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 15.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.23,3.00],
      "number_observations": 20091,
      "number_observations_unique": 4191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 24.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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