Data quality metrics extracted from 4feg.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": "4e9f68d32ed8f91d6bf9b7c12cd26b82",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 118.60,
    "b": 154.40,
    "c": 165.52,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.090],
    "number_observations_unique": 611332,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 12.05
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.160,1.090],
      "number_observations": 307295,
      "number_observations_unique": 106460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 2.17
        },
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [1.250,1.160],
      "number_observations": 381823,
      "number_observations_unique": 94724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.386
        },
        {
          "type": "I/SigI",
          "value": 3.84
        },
        {
          "type": "Completeness",
          "value": 97.9
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.250],
      "number_observations": 523771,
      "number_observations_unique": 129060,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 5.91
        },
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [2.600,1.420],
      "number_observations": 956904,
      "number_observations_unique": 234858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 17.76
        },
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [3.190,2.600],
      "number_observations": 88206,
      "number_observations_unique": 21229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 36.25
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.190],
      "number_observations": 41313,
      "number_observations_unique": 10028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 40.87
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [4.370,3.780],
      "number_observations": 21634,
      "number_observations_unique": 5299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 43.86
        },
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [14.000,4.370],
      "number_observations": 37787,
      "number_observations_unique": 9423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 44.19
        },
        {
          "type": "Completeness",
          "value": 96.0
        }
      ]
    },
    {
      "resolution_limits": [17.000,14.000],
      "number_observations": 422,
      "number_observations_unique": 118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 43.46
        },
        {
          "type": "Completeness",
          "value": 80.3
        }
      ]
    },
    {
      "resolution_limits": [50.000,17.000],
      "number_observations": 390,
      "number_observations_unique": 133,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 29.81
        },
        {
          "type": "Completeness",
          "value": 69.3
        }
      ]
    }
  ]

}
  

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


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