Data quality metrics extracted from 7ifo.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": "b28d0249ddcda5aafa1823f876cbe852",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.22,
    "b": 73.42,
    "c": 52.46,
    "alpha": 90.00,
    "beta": 109.21,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.70,1.09],
    "number_observations": 437118,
    "number_observations_unique": 129554,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 7.54
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.15,1.09],
      "number_observations": 62392,
      "number_observations_unique": 19833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.287
        },
        {
          "type": "R(meas)",
          "value": 1.55
        },
        {
          "type": "I/SigI",
          "value": 0.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.365
        }
      ]
    },
    {
      "resolution_limits": [1.23,1.15],
      "number_observations": 65799,
      "number_observations_unique": 19350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.857
        },
        {
          "type": "R(meas)",
          "value": 1.01
        },
        {
          "type": "I/SigI",
          "value": 1.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.579
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.23],
      "number_observations": 59941,
      "number_observations_unique": 18203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.606
        },
        {
          "type": "R(meas)",
          "value": 0.724
        },
        {
          "type": "I/SigI",
          "value": 1.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.713
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.33],
      "number_observations": 59982,
      "number_observations_unique": 17134,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "R(meas)",
          "value": 0.44
        },
        {
          "type": "I/SigI",
          "value": 3.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.46],
      "number_observations": 51397,
      "number_observations_unique": 15433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "R(meas)",
          "value": 0.243
        },
        {
          "type": "I/SigI",
          "value": 5.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.63],
      "number_observations": 49426,
      "number_observations_unique": 13879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.128
        },
        {
          "type": "I/SigI",
          "value": 10.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.31,1.88],
      "number_observations": 38380,
      "number_observations_unique": 11540,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 18.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.31],
      "number_observations": 32697,
      "number_observations_unique": 9137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 26.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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