Data quality metrics extracted from 7igt.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": "2e85bd6c594dbef865fcdb78d7756d3a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.20,
    "b": 73.53,
    "c": 52.32,
    "alpha": 90.00,
    "beta": 109.19,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.50,1.13],
    "number_observations": 395394,
    "number_observations_unique": 115669,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 9.84
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.2,1.13],
      "number_observations": 59796,
      "number_observations_unique": 17849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.269
        },
        {
          "type": "R(meas)",
          "value": 1.508
        },
        {
          "type": "I/SigI",
          "value": 0.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.409
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.20],
      "number_observations": 58449,
      "number_observations_unique": 17359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.941
        },
        {
          "type": "R(meas)",
          "value": 1.118
        },
        {
          "type": "I/SigI",
          "value": 1.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.533
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.28],
      "number_observations": 55287,
      "number_observations_unique": 16177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.601
        },
        {
          "type": "R(meas)",
          "value": 0.713
        },
        {
          "type": "I/SigI",
          "value": 1.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.725
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.38],
      "number_observations": 53053,
      "number_observations_unique": 15193,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        },
        {
          "type": "R(meas)",
          "value": 0.405
        },
        {
          "type": "I/SigI",
          "value": 3.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.51],
      "number_observations": 46521,
      "number_observations_unique": 13741,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "R(meas)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 6.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.69],
      "number_observations": 43709,
      "number_observations_unique": 12335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 12.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.39,1.95],
      "number_observations": 34324,
      "number_observations_unique": 10318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 23.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.39],
      "number_observations": 28921,
      "number_observations_unique": 8179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 36.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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