Data quality metrics extracted from 4g3u.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": "fa191c67803c39141c5fa5bb8cb9716e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 105.152,
    "b": 65.808,
    "c": 108.504,
    "alpha": 90.0,
    "beta": 109.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [102.589,2.689],
    "number_observations_unique": 36583,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 10.830
      },
      {
        "type": "Completeness",
        "value": 92.700
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.850,2.689],
      "number_observations": 18062,
      "number_observations_unique": 5862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.625
        },
        {
          "type": "I/SigI",
          "value": 2.340
        },
        {
          "type": "Completeness",
          "value": 92.6
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.850],
      "number_observations": 17758,
      "number_observations_unique": 5627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.402
        },
        {
          "type": "I/SigI",
          "value": 3.420
        },
        {
          "type": "Completeness",
          "value": 95.2
        }
      ]
    },
    {
      "resolution_limits": [3.290,3.050],
      "number_observations": 16780,
      "number_observations_unique": 5283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 5.440
        },
        {
          "type": "Completeness",
          "value": 94.6
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.290],
      "number_observations": 15149,
      "number_observations_unique": 4760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 7.060
        },
        {
          "type": "Completeness",
          "value": 94.0
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.600],
      "number_observations": 13659,
      "number_observations_unique": 4302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 10.900
        },
        {
          "type": "Completeness",
          "value": 92.7
        }
      ]
    },
    {
      "resolution_limits": [4.640,4.020],
      "number_observations": 12114,
      "number_observations_unique": 3771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 19.740
        },
        {
          "type": "Completeness",
          "value": 92.0
        }
      ]
    },
    {
      "resolution_limits": [5.670,4.640],
      "number_observations": 10269,
      "number_observations_unique": 3153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 21.300
        },
        {
          "type": "Completeness",
          "value": 90.6
        }
      ]
    },
    {
      "resolution_limits": [7.960,5.670],
      "number_observations": 7952,
      "number_observations_unique": 2436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 22.640
        },
        {
          "type": "Completeness",
          "value": 89.0
        }
      ]
    },
    {
      "resolution_limits": [102.589,7.960],
      "number_observations": 4415,
      "number_observations_unique": 1389,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 41.360
        },
        {
          "type": "Completeness",
          "value": 85.3
        }
      ]
    }
  ]

}
  

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


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