Data quality metrics extracted from 7ii0.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": "fbea17ed9dd2c4b8d86b40b3b7e4a02a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.22,
    "b": 73.03,
    "c": 52.53,
    "alpha": 90.00,
    "beta": 109.19,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.67,1.16],
    "number_observations": 367368,
    "number_observations_unique": 107162,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 8.03
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.23,1.16],
      "number_observations": 56942,
      "number_observations_unique": 16597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.466
        },
        {
          "type": "R(meas)",
          "value": 1.737
        },
        {
          "type": "I/SigI",
          "value": 0.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.303
        }
      ]
    },
    {
      "resolution_limits": [1.31,1.23],
      "number_observations": 52077,
      "number_observations_unique": 15970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.097
        },
        {
          "type": "R(meas)",
          "value": 1.312
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.402
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.31],
      "number_observations": 53555,
      "number_observations_unique": 15152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.677
        },
        {
          "type": "R(meas)",
          "value": 0.797
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.666
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.42],
      "number_observations": 48482,
      "number_observations_unique": 14111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "R(meas)",
          "value": 0.441
        },
        {
          "type": "I/SigI",
          "value": 3.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.55],
      "number_observations": 43750,
      "number_observations_unique": 12725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        },
        {
          "type": "R(meas)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 5.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.74],
      "number_observations": 40189,
      "number_observations_unique": 11391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 11.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.01],
      "number_observations": 31439,
      "number_observations_unique": 9490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 19.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.47,2.46],
      "number_observations": 26716,
      "number_observations_unique": 7580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 28.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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