Data quality metrics extracted from 3gju.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": "b75d2a84ab7a4b220f4b0b96ff4a82c8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.224,
    "b": 59.577,
    "c": 85.337,
    "alpha": 90.00,
    "beta": 130.59,
    "gamma": 90.00
  },
  "wavelengths": [0.91162,0.97941,0.97954],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.330,1.55],
    "number_observations_unique": 61448,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "Completeness",
        "value": 92.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.55],
      "number_observations": 14238,
      "number_observations_unique": 11275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.520
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 85.20
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.61],
      "number_observations": 13077,
      "number_observations_unique": 10381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 90.70
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.67],
      "number_observations": 14842,
      "number_observations_unique": 11791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 91.20
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.75],
      "number_observations": 13705,
      "number_observations_unique": 10954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 91.90
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.84],
      "number_observations": 13628,
      "number_observations_unique": 10919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 92.50
        }
      ]
    },
    {
      "resolution_limits": [2.10,1.95],
      "number_observations": 14300,
      "number_observations_unique": 11479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 92.90
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.10],
      "number_observations": 14344,
      "number_observations_unique": 11566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 9.7
        },
        {
          "type": "Completeness",
          "value": 93.30
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.31],
      "number_observations": 14718,
      "number_observations_unique": 11856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 12.2
        },
        {
          "type": "Completeness",
          "value": 94.20
        }
      ]
    },
    {
      "resolution_limits": [3.33,2.65],
      "number_observations": 14301,
      "number_observations_unique": 11558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 18.3
        },
        {
          "type": "Completeness",
          "value": 94.20
        }
      ]
    },
    {
      "resolution_limits": [28.330,3.33],
      "number_observations": 14626,
      "number_observations_unique": 11810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 28.8
        },
        {
          "type": "Completeness",
          "value": 94.40
        }
      ]
    }
  ]

}
  

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


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