Data quality metrics extracted from 7ihw.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": "b0115167823ff2fcaac267d134ef1469",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.30,
    "b": 72.89,
    "c": 52.57,
    "alpha": 90.00,
    "beta": 109.27,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.71,1.04],
    "number_observations": 493218,
    "number_observations_unique": 151554,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 8.87
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.1,1.04],
      "number_observations": 71882,
      "number_observations_unique": 23937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.467
        },
        {
          "type": "R(meas)",
          "value": 1.781
        },
        {
          "type": "I/SigI",
          "value": 0.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.347
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.10],
      "number_observations": 70268,
      "number_observations_unique": 22891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.781
        },
        {
          "type": "R(meas)",
          "value": 0.945
        },
        {
          "type": "I/SigI",
          "value": 1.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.633
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.18],
      "number_observations": 70172,
      "number_observations_unique": 21487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.542
        },
        {
          "type": "R(meas)",
          "value": 0.649
        },
        {
          "type": "I/SigI",
          "value": 2.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.761
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.27],
      "number_observations": 65345,
      "number_observations_unique": 19850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.425
        },
        {
          "type": "I/SigI",
          "value": 3.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.39],
      "number_observations": 61072,
      "number_observations_unique": 17980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "R(meas)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 5.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.56],
      "number_observations": 53882,
      "number_observations_unique": 15850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 11.13
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.2,1.80],
      "number_observations": 45192,
      "number_observations_unique": 13366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 22.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.20],
      "number_observations": 35880,
      "number_observations_unique": 10395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 33.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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