Data quality metrics extracted from 4gws.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": "7ab6f9d063a3b90ced14fdc9f3760864",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 60.236,
    "b": 164.285,
    "c": 79.136,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.07,2.750],
    "number_observations_unique": 17334,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 82.0
      },
      {
        "type": "Redundancy",
        "value": 2.89
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.850,2.750],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 3.00
        },
        {
          "type": "Completeness",
          "value": 85.5
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.850],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 3.40
        },
        {
          "type": "Completeness",
          "value": 84.7
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.960],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "I/SigI",
          "value": 4.00
        },
        {
          "type": "Completeness",
          "value": 84.9
        },
        {
          "type": "Redundancy",
          "value": 2.83
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.100],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 4.90
        },
        {
          "type": "Completeness",
          "value": 84.1
        },
        {
          "type": "Redundancy",
          "value": 2.85
        }
      ]
    },
    {
      "resolution_limits": [3.460,3.260],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 83.6
        },
        {
          "type": "Redundancy",
          "value": 2.88
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 7.50
        },
        {
          "type": "Completeness",
          "value": 83.4
        },
        {
          "type": "Redundancy",
          "value": 2.89
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.730],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 7.90
        },
        {
          "type": "Completeness",
          "value": 81.9
        },
        {
          "type": "Redundancy",
          "value": 2.93
        }
      ]
    },
    {
      "resolution_limits": [4.700,4.110],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 11.90
        },
        {
          "type": "Completeness",
          "value": 80.4
        },
        {
          "type": "Redundancy",
          "value": 2.97
        }
      ]
    },
    {
      "resolution_limits": [5.920,4.700],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 11.80
        },
        {
          "type": "Completeness",
          "value": 78.5
        },
        {
          "type": "Redundancy",
          "value": 2.98
        }
      ]
    },
    {
      "resolution_limits": [36.070,5.920],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 14.80
        },
        {
          "type": "Completeness",
          "value": 73.7
        },
        {
          "type": "Redundancy",
          "value": 2.99
        }
      ]
    }
  ]

}
  

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


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