Data quality metrics extracted from 4nfl.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": "0aaec20c7bd8d009176b618958a533f2",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 73.65,
    "b": 73.65,
    "c": 105.91,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97826],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.078,1.375],
    "number_observations_unique": 56940,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 26.11
      },
      {
        "type": "Completeness",
        "value": 90.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.450,1.375],
      "number_observations": 26774,
      "number_observations_unique": 6176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.674
        },
        {
          "type": "I/SigI",
          "value": 1.910
        },
        {
          "type": "Completeness",
          "value": 61.9
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.450],
      "number_observations": 48600,
      "number_observations_unique": 8065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.404
        },
        {
          "type": "I/SigI",
          "value": 4.130
        },
        {
          "type": "Completeness",
          "value": 86.1
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.550],
      "number_observations": 71625,
      "number_observations_unique": 8757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 8.830
        },
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.670],
      "number_observations": 67365,
      "number_observations_unique": 8063,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "I/SigI",
          "value": 15.310
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.830],
      "number_observations": 61312,
      "number_observations_unique": 7307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 27.340
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.050],
      "number_observations": 54343,
      "number_observations_unique": 6443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 42.310
        },
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.360],
      "number_observations": 45929,
      "number_observations_unique": 5445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 54.970
        },
        {
          "type": "Completeness",
          "value": 97.9
        }
      ]
    },
    {
      "resolution_limits": [4.080,2.890],
      "number_observations": 35350,
      "number_observations_unique": 4246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 68.630
        },
        {
          "type": "Completeness",
          "value": 96.6
        }
      ]
    },
    {
      "resolution_limits": [52.078,4.080],
      "number_observations": 19342,
      "number_observations_unique": 2437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 72.850
        },
        {
          "type": "Completeness",
          "value": 94.4
        }
      ]
    }
  ]

}
  

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


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