Data quality metrics extracted from 7ifw.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": "70fb45f6802a2a3c8e34254b06a11ea9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.20,
    "b": 73.03,
    "c": 52.57,
    "alpha": 90.00,
    "beta": 109.47,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.72,1.19],
    "number_observations": 320079,
    "number_observations_unique": 99832,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 8.18
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.19],
      "number_observations": 44024,
      "number_observations_unique": 15341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.483
        },
        {
          "type": "R(meas)",
          "value": 1.808
        },
        {
          "type": "I/SigI",
          "value": 0.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.289
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.26],
      "number_observations": 44138,
      "number_observations_unique": 14986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.949
        },
        {
          "type": "R(meas)",
          "value": 1.154
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.494
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.35],
      "number_observations": 46409,
      "number_observations_unique": 14293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.578
        },
        {
          "type": "R(meas)",
          "value": 0.692
        },
        {
          "type": "I/SigI",
          "value": 1.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.73
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.45],
      "number_observations": 42370,
      "number_observations_unique": 13072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "R(meas)",
          "value": 0.381
        },
        {
          "type": "I/SigI",
          "value": 3.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.59],
      "number_observations": 41812,
      "number_observations_unique": 11974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.211
        },
        {
          "type": "I/SigI",
          "value": 6.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.78],
      "number_observations": 36121,
      "number_observations_unique": 10554,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 12.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.05],
      "number_observations": 28381,
      "number_observations_unique": 8810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 19.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.55,2.51],
      "number_observations": 23695,
      "number_observations_unique": 6908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 28.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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