Data quality metrics extracted from 7ihs.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": "8dc242502cdad5938c663ff8240736d5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.39,
    "b": 72.95,
    "c": 52.55,
    "alpha": 90.00,
    "beta": 109.48,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.37,1.09],
    "number_observations": 435198,
    "number_observations_unique": 131407,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 7.89
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.16,1.09],
      "number_observations": 62254,
      "number_observations_unique": 20661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.53
        },
        {
          "type": "R(meas)",
          "value": 1.864
        },
        {
          "type": "I/SigI",
          "value": 0.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.358
        }
      ]
    },
    {
      "resolution_limits": [1.23,1.16],
      "number_observations": 65723,
      "number_observations_unique": 19973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.017
        },
        {
          "type": "R(meas)",
          "value": 1.217
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.53
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.23],
      "number_observations": 59683,
      "number_observations_unique": 18537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.727
        },
        {
          "type": "R(meas)",
          "value": 0.873
        },
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.647
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.33],
      "number_observations": 59658,
      "number_observations_unique": 17278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.456
        },
        {
          "type": "R(meas)",
          "value": 0.541
        },
        {
          "type": "I/SigI",
          "value": 2.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.46],
      "number_observations": 51092,
      "number_observations_unique": 15497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "R(meas)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 4.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.63],
      "number_observations": 49173,
      "number_observations_unique": 13836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 9.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.31,1.89],
      "number_observations": 38262,
      "number_observations_unique": 11506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 18.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.31],
      "number_observations": 32454,
      "number_observations_unique": 9112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 30.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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