Data quality metrics extracted from 2fna.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": "fe44c7d03f7fd1577593c27fa7875bc4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.36,
    "b": 108.35,
    "c": 70.57,
    "alpha": 90.00,
    "beta": 100.31,
    "gamma": 90.00
  },
  "wavelengths": [0.95372,0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.5,2.00],
    "number_observations_unique": 53921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 9.530
      },
      {
        "type": "Completeness",
        "value": 91.600
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations": 10419,
      "number_observations_unique": 8517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.424
        },
        {
          "type": "I/SigI",
          "value": 2.050
        },
        {
          "type": "Completeness",
          "value": 79.6
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.07],
      "number_observations": 10995,
      "number_observations_unique": 8992,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 2.730
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.15],
      "number_observations": 12002,
      "number_observations_unique": 9794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 3.420
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.25],
      "number_observations": 12170,
      "number_observations_unique": 9971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 4.370
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.37],
      "number_observations": 12343,
      "number_observations_unique": 10138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 5.390
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.52],
      "number_observations": 12114,
      "number_observations_unique": 9964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 6.810
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.71],
      "number_observations": 12711,
      "number_observations_unique": 10484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 9.600
        }
      ]
    },
    {
      "resolution_limits": [3.42,2.99],
      "number_observations": 21791,
      "number_observations_unique": 10512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 14.040
        }
      ]
    },
    {
      "resolution_limits": [4.30,3.42],
      "number_observations": 33399,
      "number_observations_unique": 10680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 17.820
        }
      ]
    },
    {
      "resolution_limits": [69.5,4.30],
      "number_observations": 33563,
      "number_observations_unique": 10852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 25.040
        }
      ]
    }
  ]

}
  

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


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