Data quality metrics extracted from 4gnl.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": "4ab4d91a72987d3365ebfbf0071463b5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 61.255,
    "b": 84.752,
    "c": 118.962,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.15000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.700],
    "number_observations_unique": 68183,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 12.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 8.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.760,1.700],
      "number_observations_unique": 6720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.952
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 7.1
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.760],
      "number_observations_unique": 6732,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.680
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.8
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.830],
      "number_observations_unique": 6739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.442
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.910],
      "number_observations_unique": 6766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.020],
      "number_observations_unique": 6744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.140],
      "number_observations_unique": 6767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.310],
      "number_observations_unique": 6838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.540],
      "number_observations_unique": 6841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [3.660,2.910],
      "number_observations_unique": 6890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.9
        }
      ]
    },
    {
      "resolution_limits": [50.000,3.660],
      "number_observations_unique": 7146,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 8.5
        }
      ]
    }
  ]

}
  

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


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