Data quality metrics extracted from 7ifz.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": "6c4fe82838648d539ca0bfa5323c3868",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.34,
    "b": 72.97,
    "c": 52.69,
    "alpha": 90.00,
    "beta": 109.51,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.40,1.07],
    "number_observations": 460527,
    "number_observations_unique": 138785,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 8.38
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.13,1.07],
      "number_observations": 66779,
      "number_observations_unique": 21726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.217
        },
        {
          "type": "R(meas)",
          "value": 1.472
        },
        {
          "type": "I/SigI",
          "value": 0.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.41
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.13],
      "number_observations": 68270,
      "number_observations_unique": 20926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.742
        },
        {
          "type": "R(meas)",
          "value": 0.887
        },
        {
          "type": "I/SigI",
          "value": 1.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.628
        }
      ]
    },
    {
      "resolution_limits": [1.31,1.21],
      "number_observations": 62838,
      "number_observations_unique": 19605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.563
        },
        {
          "type": "R(meas)",
          "value": 0.676
        },
        {
          "type": "I/SigI",
          "value": 1.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.725
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.31],
      "number_observations": 63126,
      "number_observations_unique": 18276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.36
        },
        {
          "type": "R(meas)",
          "value": 0.426
        },
        {
          "type": "I/SigI",
          "value": 3.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.43],
      "number_observations": 54509,
      "number_observations_unique": 16428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 5.58
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.60],
      "number_observations": 51711,
      "number_observations_unique": 14640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 10.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.27,1.85],
      "number_observations": 40874,
      "number_observations_unique": 12271,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 20.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.2,2.27],
      "number_observations": 34344,
      "number_observations_unique": 9594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 31.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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