Data quality metrics extracted from 7ihz.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": "9a603a601aa158743540d86a90c336a5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.30,
    "b": 72.95,
    "c": 52.51,
    "alpha": 90.00,
    "beta": 109.18,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.38,1.15],
    "number_observations": 373937,
    "number_observations_unique": 109282,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 7.70
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.22,1.15],
      "number_observations": 58129,
      "number_observations_unique": 16962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.473
        },
        {
          "type": "R(meas)",
          "value": 1.744
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.376
        }
      ]
    },
    {
      "resolution_limits": [1.3,1.22],
      "number_observations": 53449,
      "number_observations_unique": 16288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.144
        },
        {
          "type": "R(meas)",
          "value": 1.365
        },
        {
          "type": "I/SigI",
          "value": 0.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.465
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.30],
      "number_observations": 54009,
      "number_observations_unique": 15443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.733
        },
        {
          "type": "R(meas)",
          "value": 0.864
        },
        {
          "type": "I/SigI",
          "value": 1.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.686
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.41],
      "number_observations": 49901,
      "number_observations_unique": 14403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.414
        },
        {
          "type": "R(meas)",
          "value": 0.49
        },
        {
          "type": "I/SigI",
          "value": 2.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.848
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.54],
      "number_observations": 44223,
      "number_observations_unique": 12969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 5.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.72],
      "number_observations": 41089,
      "number_observations_unique": 11641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 10.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.44,1.99],
      "number_observations": 31671,
      "number_observations_unique": 9654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 18.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.44,2.44],
      "number_observations": 27010,
      "number_observations_unique": 7685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 28.58
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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