Data quality metrics extracted from 7ihm.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": "509080903d75be9a9147c79623a49608",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.27,
    "b": 72.99,
    "c": 52.56,
    "alpha": 90.00,
    "beta": 109.47,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.49,1.05],
    "number_observations": 478968,
    "number_observations_unique": 144775,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 7.59
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.11,1.05],
      "number_observations": 68705,
      "number_observations_unique": 21839,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.461
        },
        {
          "type": "R(meas)",
          "value": 1.763
        },
        {
          "type": "I/SigI",
          "value": 0.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.382
        }
      ]
    },
    {
      "resolution_limits": [1.19,1.11],
      "number_observations": 68717,
      "number_observations_unique": 21617,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.809
        },
        {
          "type": "R(meas)",
          "value": 0.975
        },
        {
          "type": "I/SigI",
          "value": 1.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.626
        }
      ]
    },
    {
      "resolution_limits": [1.28,1.19],
      "number_observations": 67628,
      "number_observations_unique": 20597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.577
        },
        {
          "type": "R(meas)",
          "value": 0.691
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.747
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.28],
      "number_observations": 64455,
      "number_observations_unique": 19137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "R(meas)",
          "value": 0.446
        },
        {
          "type": "I/SigI",
          "value": 2.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.41],
      "number_observations": 58851,
      "number_observations_unique": 17394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.241
        },
        {
          "type": "I/SigI",
          "value": 5.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.57],
      "number_observations": 53110,
      "number_observations_unique": 15404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 10.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.22,1.81],
      "number_observations": 43337,
      "number_observations_unique": 12986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 18.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.22],
      "number_observations": 35390,
      "number_observations_unique": 10156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 27.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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