Data quality metrics extracted from 7if1.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": "4933a1afa99f923f88b52fff1f4710f6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.26,
    "b": 72.90,
    "c": 52.51,
    "alpha": 90.00,
    "beta": 109.29,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.44,1.12],
    "number_observations": 385830,
    "number_observations_unique": 114915,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 8.98
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.19,1.12],
      "number_observations": 54722,
      "number_observations_unique": 17122,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.325
        },
        {
          "type": "R(meas)",
          "value": 1.586
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.382
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.19],
      "number_observations": 56248,
      "number_observations_unique": 17123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.899
        },
        {
          "type": "R(meas)",
          "value": 1.073
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.541
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.27],
      "number_observations": 52791,
      "number_observations_unique": 16186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.589
        },
        {
          "type": "R(meas)",
          "value": 0.702
        },
        {
          "type": "I/SigI",
          "value": 1.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.728
        }
      ]
    },
    {
      "resolution_limits": [1.5,1.37],
      "number_observations": 52488,
      "number_observations_unique": 15247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "R(meas)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 3.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.50],
      "number_observations": 46828,
      "number_observations_unique": 13771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 6.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.68],
      "number_observations": 44217,
      "number_observations_unique": 12412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 12.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.37,1.94],
      "number_observations": 34402,
      "number_observations_unique": 10349,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 21.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.34,2.37],
      "number_observations": 28781,
      "number_observations_unique": 8207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 32.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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