Data quality metrics extracted from 3r4d.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": "72a02286f820330776c5b444892c1ed4",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 76.38,
    "b": 76.38,
    "c": 942.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97914],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,3.0],
    "number_observations_unique": 33862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 20.9
      },
      {
        "type": "Completeness",
        "value": 96.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "I/SigI",
          "value": 6.28
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "Redundancy",
          "value": 7.6
        }
      ]
    },
    {
      "resolution_limits": [3.11,3.05],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [3.17,3.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.23,3.17],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [3.30,3.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [3.38,3.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [3.78,3.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.91,3.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [4.07,3.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [4.26,4.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [4.48,4.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.0
        }
      ]
    },
    {
      "resolution_limits": [4.76,4.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.1
        }
      ]
    },
    {
      "resolution_limits": [5.13,4.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.2
        }
      ]
    },
    {
      "resolution_limits": [5.64,5.13],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.8
        }
      ]
    },
    {
      "resolution_limits": [6.46,5.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [8.13,6.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.6
        }
      ]
    },
    {
      "resolution_limits": [50.00,8.13],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 75.2
        }
      ]
    }
  ]

}
  

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


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