Data quality metrics extracted from 3gzs.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": "2ff5a3e6be643fdfb9f157de94d74068",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 88.921,
    "b": 50.377,
    "c": 117.950,
    "alpha": 90.00,
    "beta": 108.05,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97946,0.97907],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.630,2.09],
    "number_observations_unique": 57418,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "Completeness",
        "value": 93.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.09],
      "number_observations": 15496,
      "number_observations_unique": 8398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.403
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 77.90
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.16],
      "number_observations": 21522,
      "number_observations_unique": 11392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.308
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.25],
      "number_observations": 20216,
      "number_observations_unique": 10541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 93.60
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.35],
      "number_observations": 22485,
      "number_observations_unique": 11577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 95.20
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.48],
      "number_observations": 20883,
      "number_observations_unique": 10657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 95.30
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.63],
      "number_observations": 21461,
      "number_observations_unique": 10874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 95.70
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.83],
      "number_observations": 22267,
      "number_observations_unique": 11255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 11.6
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [3.57,3.12],
      "number_observations": 21634,
      "number_observations_unique": 10922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 18.5
        },
        {
          "type": "Completeness",
          "value": 94.90
        }
      ]
    },
    {
      "resolution_limits": [4.49,3.57],
      "number_observations": 21501,
      "number_observations_unique": 10867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 30.0
        },
        {
          "type": "Completeness",
          "value": 94.40
        }
      ]
    },
    {
      "resolution_limits": [29.63,4.49],
      "number_observations": 21847,
      "number_observations_unique": 11056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 35.2
        },
        {
          "type": "Completeness",
          "value": 94.80
        }
      ]
    }
  ]

}
  

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


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