Data quality metrics extracted from 4gx3.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": "d38c20c4932fb7531779724b1c6448a0",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 59.249,
    "b": 165.012,
    "c": 79.135,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.92,2.250],
    "number_observations_unique": 32141,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 12.2
      },
      {
        "type": "Completeness",
        "value": 85.2
      },
      {
        "type": "Redundancy",
        "value": 3.45
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.330,2.250],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 2.60
        },
        {
          "type": "Completeness",
          "value": 69.2
        },
        {
          "type": "Redundancy",
          "value": 1.94
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.330],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 3.40
        },
        {
          "type": "Completeness",
          "value": 80.7
        },
        {
          "type": "Redundancy",
          "value": 2.26
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.420],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 4.50
        },
        {
          "type": "Completeness",
          "value": 89.6
        },
        {
          "type": "Redundancy",
          "value": 2.97
        }
      ]
    },
    {
      "resolution_limits": [2.670,2.530],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 90.3
        },
        {
          "type": "Redundancy",
          "value": 3.56
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.670],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 6.80
        },
        {
          "type": "Completeness",
          "value": 89.6
        },
        {
          "type": "Redundancy",
          "value": 3.64
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.830],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 8.70
        },
        {
          "type": "Completeness",
          "value": 88.8
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.050],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 12.10
        },
        {
          "type": "Completeness",
          "value": 88.6
        },
        {
          "type": "Redundancy",
          "value": 3.79
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.360],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 15.30
        },
        {
          "type": "Completeness",
          "value": 87.8
        },
        {
          "type": "Redundancy",
          "value": 3.95
        }
      ]
    },
    {
      "resolution_limits": [4.840,3.850],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 24.10
        },
        {
          "type": "Completeness",
          "value": 86.5
        },
        {
          "type": "Redundancy",
          "value": 4.05
        }
      ]
    },
    {
      "resolution_limits": [35.920,4.840],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 24.50
        },
        {
          "type": "Completeness",
          "value": 81.2
        },
        {
          "type": "Redundancy",
          "value": 4.20
        }
      ]
    }
  ]

}
  

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


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