Data quality metrics extracted from 4fgl.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": "7378eb6dc69a9a9382937d3421317a20",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.31,
    "b": 105.71,
    "c": 82.00,
    "alpha": 90.00,
    "beta": 90.17,
    "gamma": 90.00
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.307,1.200],
    "number_observations_unique": 287298,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 19.340
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.230,1.200],
      "number_observations": 76264,
      "number_observations_unique": 21233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 4.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.59
        }
      ]
    },
    {
      "resolution_limits": [1.260,1.230],
      "number_observations": 74734,
      "number_observations_unique": 20689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 5.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.61
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.260],
      "number_observations": 73008,
      "number_observations_unique": 20072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "I/SigI",
          "value": 5.920
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.64
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.300],
      "number_observations": 71336,
      "number_observations_unique": 19509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "I/SigI",
          "value": 6.810
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.66
        }
      ]
    },
    {
      "resolution_limits": [1.390,1.340],
      "number_observations": 69743,
      "number_observations_unique": 18978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 7.840
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.67
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.390],
      "number_observations": 67501,
      "number_observations_unique": 18318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 9.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.68
        }
      ]
    },
    {
      "resolution_limits": [1.490,1.430],
      "number_observations": 65629,
      "number_observations_unique": 17707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 11.320
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.490],
      "number_observations": 63281,
      "number_observations_unique": 17002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 14.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [1.620,1.550],
      "number_observations": 60816,
      "number_observations_unique": 16304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 16.960
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [1.700,1.620],
      "number_observations": 58523,
      "number_observations_unique": 15656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 19.850
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.700],
      "number_observations": 55268,
      "number_observations_unique": 14790,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 23.400
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.790],
      "number_observations": 52429,
      "number_observations_unique": 14048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 27.370
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [2.030,1.900],
      "number_observations": 49186,
      "number_observations_unique": 13216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 33.040
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.030],
      "number_observations": 45472,
      "number_observations_unique": 12281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 37.510
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.190],
      "number_observations": 41914,
      "number_observations_unique": 11323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 40.700
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.400],
      "number_observations": 37868,
      "number_observations_unique": 10203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 42.570
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.680],
      "number_observations": 33541,
      "number_observations_unique": 9054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 45.150
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [3.790,3.100],
      "number_observations": 28411,
      "number_observations_unique": 7662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 48.550
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [5.370,3.790],
      "number_observations": 22128,
      "number_observations_unique": 5953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 50.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [48.307,5.370],
      "number_observations": 12137,
      "number_observations_unique": 3300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 49.550
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.68
        }
      ]
    }
  ]

}
  

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


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