Data quality metrics extracted from 7ift.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": "3db587de3deba5ae5b3e14888e06a523",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.28,
    "b": 72.88,
    "c": 52.60,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.86,1.08],
    "number_observations": 446446,
    "number_observations_unique": 135030,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(meas)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 5.66
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.14,1.08],
      "number_observations": 64100,
      "number_observations_unique": 21373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.34
        },
        {
          "type": "R(meas)",
          "value": 1.632
        },
        {
          "type": "I/SigI",
          "value": 0.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.351
        }
      ]
    },
    {
      "resolution_limits": [1.22,1.14],
      "number_observations": 67541,
      "number_observations_unique": 20623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.868
        },
        {
          "type": "R(meas)",
          "value": 1.041
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.547
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.22],
      "number_observations": 61286,
      "number_observations_unique": 19025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.653
        },
        {
          "type": "R(meas)",
          "value": 0.785
        },
        {
          "type": "I/SigI",
          "value": 1.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.666
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.32],
      "number_observations": 61273,
      "number_observations_unique": 17737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "R(meas)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 2.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.842
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.45],
      "number_observations": 52810,
      "number_observations_unique": 15880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "R(meas)",
          "value": 0.281
        },
        {
          "type": "I/SigI",
          "value": 4.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.62],
      "number_observations": 50377,
      "number_observations_unique": 14186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "R(meas)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 8.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.29,1.87],
      "number_observations": 39161,
      "number_observations_unique": 11819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 13.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.29],
      "number_observations": 32700,
      "number_observations_unique": 9269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 19.43
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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