Data quality metrics extracted from 7ifs.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": "899f03242e1487ce60a451b8090ab2b1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.30,
    "b": 73.24,
    "c": 52.51,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.45,1.09],
    "number_observations": 437802,
    "number_observations_unique": 130714,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 6.11
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.16,1.09],
      "number_observations": 62644,
      "number_observations_unique": 20103,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.715
        },
        {
          "type": "R(meas)",
          "value": 2.069
        },
        {
          "type": "I/SigI",
          "value": 0.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.302
        }
      ]
    },
    {
      "resolution_limits": [1.23,1.16],
      "number_observations": 66105,
      "number_observations_unique": 19729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.141
        },
        {
          "type": "R(meas)",
          "value": 1.358
        },
        {
          "type": "I/SigI",
          "value": 0.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.463
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.23],
      "number_observations": 59721,
      "number_observations_unique": 18403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.818
        },
        {
          "type": "R(meas)",
          "value": 0.98
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.599
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.33],
      "number_observations": 59794,
      "number_observations_unique": 17273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.496
        },
        {
          "type": "R(meas)",
          "value": 0.587
        },
        {
          "type": "I/SigI",
          "value": 2.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.806
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.46],
      "number_observations": 51471,
      "number_observations_unique": 15537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 4.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.63],
      "number_observations": 49523,
      "number_observations_unique": 13924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 8.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.31,1.89],
      "number_observations": 38525,
      "number_observations_unique": 11572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 15.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.31],
      "number_observations": 32787,
      "number_observations_unique": 9104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 22.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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