Data quality metrics extracted from 2fsi.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": "aa54ce51f1c10f2c372a5c7b457cb028",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 75.56,
    "b": 90.43,
    "c": 163.29,
    "alpha": 90.00,
    "beta": 100.82,
    "gamma": 90.00
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.85,2.11],
    "number_observations_unique": 112860,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 11.660
      },
      {
        "type": "Completeness",
        "value": 90.6
      },
      {
        "type": "Redundancy",
        "value": 1.86
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.11],
      "number_observations": 15273,
      "number_observations_unique": 10256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 51.30
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.24],
      "number_observations": 32399,
      "number_observations_unique": 17116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 91.10
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 32124,
      "number_observations_unique": 16690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 6.4
        },
        {
          "type": "Completeness",
          "value": 95.40
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.58],
      "number_observations": 30046,
      "number_observations_unique": 15630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 8.8
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.82],
      "number_observations": 27424,
      "number_observations_unique": 14276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 97.50
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.15],
      "number_observations": 24001,
      "number_observations_unique": 12587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 17.3
        },
        {
          "type": "Completeness",
          "value": 97.20
        }
      ]
    },
    {
      "resolution_limits": [4.43,3.63],
      "number_observations": 20313,
      "number_observations_unique": 10738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 22.6
        },
        {
          "type": "Completeness",
          "value": 97.60
        }
      ]
    },
    {
      "resolution_limits": [19.85,4.43],
      "number_observations": 16012,
      "number_observations_unique": 8451,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 23.2
        },
        {
          "type": "Completeness",
          "value": 98.20
        }
      ]
    }
  ]

}
  

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


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