Data quality metrics extracted from 7ifp.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": "fafdfc99e30a58d13eeac0ac351479c6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.19,
    "b": 73.12,
    "c": 52.35,
    "alpha": 90.00,
    "beta": 109.28,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.66,1.16],
    "number_observations": 366080,
    "number_observations_unique": 109402,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 8.02
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.23,1.16],
      "number_observations": 55634,
      "number_observations_unique": 17350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.468
        },
        {
          "type": "R(meas)",
          "value": 1.764
        },
        {
          "type": "I/SigI",
          "value": 0.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.314
        }
      ]
    },
    {
      "resolution_limits": [1.31,1.23],
      "number_observations": 52236,
      "number_observations_unique": 16298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.107
        },
        {
          "type": "R(meas)",
          "value": 1.329
        },
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.425
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.31],
      "number_observations": 53792,
      "number_observations_unique": 15708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.665
        },
        {
          "type": "R(meas)",
          "value": 0.791
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.42],
      "number_observations": 48733,
      "number_observations_unique": 14377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.423
        },
        {
          "type": "I/SigI",
          "value": 3.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.881
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.55],
      "number_observations": 43779,
      "number_observations_unique": 12840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 5.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.74],
      "number_observations": 40167,
      "number_observations_unique": 11505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 11.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.00],
      "number_observations": 31475,
      "number_observations_unique": 9555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 19.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.46,2.45],
      "number_observations": 26256,
      "number_observations_unique": 7574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 29.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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