Data quality metrics extracted from 7ifr.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": "9f2c76acb64aa956ab19ce63fc170ea7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.39,
    "b": 73.02,
    "c": 52.63,
    "alpha": 90.0,
    "beta": 109.4,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.81,1.11],
    "number_observations": 417123,
    "number_observations_unique": 124475,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 7.51
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.11],
      "number_observations": 60653,
      "number_observations_unique": 19216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.356
        },
        {
          "type": "R(meas)",
          "value": 1.629
        },
        {
          "type": "I/SigI",
          "value": 0.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.18],
      "number_observations": 62528,
      "number_observations_unique": 18822,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.97
        },
        {
          "type": "R(meas)",
          "value": 1.156
        },
        {
          "type": "I/SigI",
          "value": 1.13
        },
        {
          "type": "CC(1/2)",
          "value": 0.492
        }
      ]
    },
    {
      "resolution_limits": [1.36,1.26],
      "number_observations": 57786,
      "number_observations_unique": 17612,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.683
        },
        {
          "type": "R(meas)",
          "value": 0.816
        },
        {
          "type": "I/SigI",
          "value": 1.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.647
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.36],
      "number_observations": 56523,
      "number_observations_unique": 16399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.41
        },
        {
          "type": "R(meas)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 2.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.844
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.49],
      "number_observations": 49083,
      "number_observations_unique": 14814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 4.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.66],
      "number_observations": 46675,
      "number_observations_unique": 13178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 9.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.35,1.92],
      "number_observations": 36641,
      "number_observations_unique": 11010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 18.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.35],
      "number_observations": 31043,
      "number_observations_unique": 8659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 27.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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