Data quality metrics extracted from 9fel.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": "c152857c1ffbf2c5083cad40f30260cc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.54,
    "b": 107.98,
    "c": 58.73,
    "alpha": 90.00,
    "beta": 103.95,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.5],
    "number_observations_unique": 76295,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "I/SigI",
        "value": 9.94
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "number_observations_unique": 12303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.909
        },
        {
          "type": "R(meas)",
          "value": 2.0669999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.433
        }
      ]
    },
    {
      "resolution_limits": [1.7,1.59],
      "number_observations_unique": 11547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.222
        },
        {
          "type": "R(meas)",
          "value": 1.3319999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.583
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.70],
      "number_observations_unique": 10772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.679
        },
        {
          "type": "R(meas)",
          "value": 0.737
        },
        {
          "type": "CC(1/2)",
          "value": 0.852
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.84],
      "number_observations_unique": 9917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33799999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.365
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.01],
      "number_observations_unique": 8965,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.25],
      "number_observations_unique": 7937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.59],
      "number_observations_unique": 6696,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.47,3.17],
      "number_observations_unique": 5231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.47],
      "number_observations_unique": 2927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.044000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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