Data quality metrics extracted from 7if8.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": "65b9515299a0f476fff9babfb41f18ed",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.48,
    "b": 73.21,
    "c": 52.64,
    "alpha": 90.00,
    "beta": 109.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.85,1.31],
    "number_observations": 260823,
    "number_observations_unique": 76792,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 8.37
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.31],
      "number_observations": 40683,
      "number_observations_unique": 12064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.244
        },
        {
          "type": "R(meas)",
          "value": 1.477
        },
        {
          "type": "I/SigI",
          "value": 0.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.37
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.39],
      "number_observations": 40134,
      "number_observations_unique": 11698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.772
        },
        {
          "type": "R(meas)",
          "value": 0.915
        },
        {
          "type": "I/SigI",
          "value": 1.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.603
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.48],
      "number_observations": 35688,
      "number_observations_unique": 10895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.466
        },
        {
          "type": "R(meas)",
          "value": 0.558
        },
        {
          "type": "I/SigI",
          "value": 2.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.799
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.60],
      "number_observations": 35101,
      "number_observations_unique": 10098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "R(meas)",
          "value": 0.336
        },
        {
          "type": "I/SigI",
          "value": 4.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.75],
      "number_observations": 31842,
      "number_observations_unique": 9129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.176
        },
        {
          "type": "I/SigI",
          "value": 8.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.26,1.96],
      "number_observations": 25190,
      "number_observations_unique": 7872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 12.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.26],
      "number_observations": 23992,
      "number_observations_unique": 6798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 18.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.9,2.77],
      "number_observations": 18110,
      "number_observations_unique": 5274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 27.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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