Data quality metrics extracted from 3go4.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": "2efeb2a2e79533671918be4dafd3fe06",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 94.637,
    "b": 49.439,
    "c": 77.811,
    "alpha": 90.0,
    "beta": 123.8,
    "gamma": 90.0
  },
  "wavelengths": [0.91837],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.482,1.80],
    "number_observations_unique": 26949,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "Completeness",
        "value": 95.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "number_observations": 8213,
      "number_observations_unique": 4709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.478
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 92.40
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.86],
      "number_observations": 9752,
      "number_observations_unique": 5537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.388
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 94.20
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.94],
      "number_observations": 9226,
      "number_observations_unique": 5235,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 94.90
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.03],
      "number_observations": 8555,
      "number_observations_unique": 4876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 95.00
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.13],
      "number_observations": 9538,
      "number_observations_unique": 5405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.27],
      "number_observations": 9042,
      "number_observations_unique": 5121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 95.90
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.44],
      "number_observations": 9345,
      "number_observations_unique": 5323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.69],
      "number_observations": 9114,
      "number_observations_unique": 5163,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    },
    {
      "resolution_limits": [3.87,3.07],
      "number_observations": 9334,
      "number_observations_unique": 5298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 11.1
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [27.482,3.87],
      "number_observations": 9347,
      "number_observations_unique": 5309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 13.7
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    }
  ]

}
  

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


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