Data quality metrics extracted from 7ifg.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": "d248498bf4e26cc8efe7fa11454a8063",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.40,
    "b": 73.37,
    "c": 52.74,
    "alpha": 90.00,
    "beta": 109.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.61,1.32],
    "number_observations": 253113,
    "number_observations_unique": 75360,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 8.46
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.4,1.32],
      "number_observations": 39780,
      "number_observations_unique": 11794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.24
        },
        {
          "type": "R(meas)",
          "value": 1.48
        },
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.40],
      "number_observations": 39418,
      "number_observations_unique": 11604,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.778
        },
        {
          "type": "R(meas)",
          "value": 0.928
        },
        {
          "type": "I/SigI",
          "value": 1.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.565
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.49],
      "number_observations": 34252,
      "number_observations_unique": 10534,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.486
        },
        {
          "type": "R(meas)",
          "value": 0.582
        },
        {
          "type": "I/SigI",
          "value": 2.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.781
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.61],
      "number_observations": 34800,
      "number_observations_unique": 9923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        },
        {
          "type": "R(meas)",
          "value": 0.347
        },
        {
          "type": "I/SigI",
          "value": 4.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.77],
      "number_observations": 31267,
      "number_observations_unique": 9022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.179
        },
        {
          "type": "I/SigI",
          "value": 7.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [2.28,1.97],
      "number_observations": 24282,
      "number_observations_unique": 7717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 13.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.28],
      "number_observations": 23014,
      "number_observations_unique": 6701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 19.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.94,2.79],
      "number_observations": 16942,
      "number_observations_unique": 5161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 28.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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