Data quality metrics extracted from 7ig2.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": "c3970d8150de1f316c90af9a10a4b2c2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.35,
    "b": 73.14,
    "c": 52.64,
    "alpha": 90.00,
    "beta": 109.52,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.57,1.07],
    "number_observations": 460334,
    "number_observations_unique": 139407,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 7.42
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.13,1.07],
      "number_observations": 66370,
      "number_observations_unique": 21958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.335
        },
        {
          "type": "R(meas)",
          "value": 1.627
        },
        {
          "type": "I/SigI",
          "value": 0.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.349
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.13],
      "number_observations": 67980,
      "number_observations_unique": 21120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.807
        },
        {
          "type": "R(meas)",
          "value": 0.972
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.569
        }
      ]
    },
    {
      "resolution_limits": [1.31,1.21],
      "number_observations": 62978,
      "number_observations_unique": 19577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.618
        },
        {
          "type": "R(meas)",
          "value": 0.742
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.688
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.31],
      "number_observations": 63180,
      "number_observations_unique": 18401,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "R(meas)",
          "value": 0.455
        },
        {
          "type": "I/SigI",
          "value": 2.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.859
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.43],
      "number_observations": 54760,
      "number_observations_unique": 16409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 5.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.60],
      "number_observations": 51809,
      "number_observations_unique": 14712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 9.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.27,1.85],
      "number_observations": 40916,
      "number_observations_unique": 12265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 18.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.2,2.27],
      "number_observations": 34335,
      "number_observations_unique": 9642,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 27.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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