Data quality metrics extracted from 4gjs.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": "b3317c08aaca9254c79fa62661bebef5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.652,
    "b": 81.331,
    "c": 47.002,
    "alpha": 90.00,
    "beta": 104.83,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.67,1.85],
    "number_observations_unique": 24972,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 5.9541
      },
      {
        "type": "Completeness",
        "value": 98.46
      },
      {
        "type": "Redundancy",
        "value": 2.65
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "number_observations": 7608,
      "number_observations_unique": 3561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 3.55
        },
        {
          "type": "Completeness",
          "value": 96.35
        },
        {
          "type": "Redundancy",
          "value": 2.14
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.95],
      "number_observations": 8899,
      "number_observations_unique": 3492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "I/SigI",
          "value": 3.68
        },
        {
          "type": "Completeness",
          "value": 99.52
        },
        {
          "type": "Redundancy",
          "value": 2.55
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.07],
      "number_observations": 8703,
      "number_observations_unique": 3246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 4.24
        },
        {
          "type": "Completeness",
          "value": 99.55
        },
        {
          "type": "Redundancy",
          "value": 2.68
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.21],
      "number_observations": 8433,
      "number_observations_unique": 3052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "I/SigI",
          "value": 4.96
        },
        {
          "type": "Completeness",
          "value": 99.52
        },
        {
          "type": "Redundancy",
          "value": 2.76
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.39],
      "number_observations": 7765,
      "number_observations_unique": 2796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 7.47
        },
        {
          "type": "Completeness",
          "value": 99.19
        },
        {
          "type": "Redundancy",
          "value": 2.78
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.62],
      "number_observations": 7044,
      "number_observations_unique": 2515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 8.16
        },
        {
          "type": "Completeness",
          "value": 98.80
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.93],
      "number_observations": 6267,
      "number_observations_unique": 2231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 8.55
        },
        {
          "type": "Completeness",
          "value": 98.61
        },
        {
          "type": "Redundancy",
          "value": 2.81
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.38],
      "number_observations": 5285,
      "number_observations_unique": 1868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 9.09
        },
        {
          "type": "Completeness",
          "value": 97.94
        },
        {
          "type": "Redundancy",
          "value": 2.83
        }
      ]
    },
    {
      "resolution_limits": [5.85,4.14],
      "number_observations": 4072,
      "number_observations_unique": 1432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 7.44
        },
        {
          "type": "Completeness",
          "value": 97.01
        },
        {
          "type": "Redundancy",
          "value": 2.84
        }
      ]
    },
    {
      "resolution_limits": [40.67,5.85],
      "number_observations": 2216,
      "number_observations_unique": 779,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "I/SigI",
          "value": 5.55
        },
        {
          "type": "Completeness",
          "value": 94.75
        },
        {
          "type": "Redundancy",
          "value": 2.84
        }
      ]
    }
  ]

}
  

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


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