Data quality metrics extracted from 4qf3.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": "803c6c075fe061f0388d4813bac00fd5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.485,
    "b": 45.605,
    "c": 65.246,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.28160],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.41,1.60],
    "number_observations_unique": 14800,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 29.7
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 8.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.70,1.60],
      "number_observations_unique": 4587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 5.69
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.70],
      "number_observations_unique": 4395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 9.38
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.82],
      "number_observations_unique": 4088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 14.06
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [2.15,1.96],
      "number_observations_unique": 3813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 20.80
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.40],
      "number_observations_unique": 3440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 26.39
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.77],
      "number_observations_unique": 3024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 31.54
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [4.75,3.38],
      "number_observations_unique": 2543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 38.36
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [29.41,4.75],
      "number_observations_unique": 1132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 43.86
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    }
  ]

}
  

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


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