Data quality metrics extracted from 7iii.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": "afdf5e1fef1a470a5812d22feacc0a44",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.29,
    "b": 73.08,
    "c": 52.56,
    "alpha": 90.00,
    "beta": 109.41,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.07,1.1],
    "number_observations": 568667,
    "number_observations_unique": 130448,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "R(meas)",
        "value": 0.125
      },
      {
        "type": "I/SigI",
        "value": 7.14
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.17,1.10],
      "number_observations": 80896,
      "number_observations_unique": 20735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.462
        },
        {
          "type": "R(meas)",
          "value": 1.69
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.407
        }
      ]
    },
    {
      "resolution_limits": [1.25,1.17],
      "number_observations": 87269,
      "number_observations_unique": 19832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.108
        },
        {
          "type": "R(meas)",
          "value": 1.26
        },
        {
          "type": "I/SigI",
          "value": 1.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.548
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.25],
      "number_observations": 82586,
      "number_observations_unique": 18465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.839
        },
        {
          "type": "R(meas)",
          "value": 0.954
        },
        {
          "type": "I/SigI",
          "value": 1.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.671
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.35],
      "number_observations": 72566,
      "number_observations_unique": 17035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.542
        },
        {
          "type": "R(meas)",
          "value": 0.623
        },
        {
          "type": "I/SigI",
          "value": 2.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.795
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.47],
      "number_observations": 68318,
      "number_observations_unique": 15376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "R(meas)",
          "value": 0.372
        },
        {
          "type": "I/SigI",
          "value": 5.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    },
    {
      "resolution_limits": [1.9,1.65],
      "number_observations": 63869,
      "number_observations_unique": 13621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "R(meas)",
          "value": 0.205
        },
        {
          "type": "I/SigI",
          "value": 9.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.33,1.90],
      "number_observations": 50577,
      "number_observations_unique": 11501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 17.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.29,2.33],
      "number_observations": 38861,
      "number_observations_unique": 8916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 25.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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